{"users":[{"id":2170,"username":"alex","name":"Alex","avatar_template":"/user_avatar/matsci.org/alex/{size}/589_2.png","trust_level":2},{"id":3428,"username":"naveenjaat","name":"naveen kumar","avatar_template":"/letter_avatar_proxy/v4/letter/n/77aa72/{size}.png","trust_level":0},{"id":18842,"username":"sayan.jnc1997","name":"Sayan Paul","avatar_template":"/letter_avatar_proxy/v4/letter/s/94ad74/{size}.png","trust_level":1},{"id":23400,"username":"ShicongDing","name":"ShicongDing","avatar_template":"/user_avatar/matsci.org/shicongding/{size}/25696_2.png","trust_level":1},{"id":15289,"username":"Shiva_Lingam","name":"Shiva Lingam","avatar_template":"/user_avatar/matsci.org/shiva_lingam/{size}/16002_2.png","trust_level":2},{"id":23899,"username":"aissa_chaouli","name":"aissa chaouli","avatar_template":"/user_avatar/matsci.org/aissa_chaouli/{size}/20279_2.png","trust_level":1},{"id":23791,"username":"Letitia","name":"","avatar_template":"/letter_avatar_proxy/v4/letter/l/85f322/{size}.png","trust_level":0},{"id":23800,"username":"iyaratounrit","name":"อัยยรัช อุ่นฤทธิ์","avatar_template":"/user_avatar/matsci.org/iyaratounrit/{size}/22262_2.png","trust_level":1},{"id":17808,"username":"Bhawna_Sahni","name":"Bhawna Sahni","avatar_template":"/user_avatar/matsci.org/bhawna_sahni/{size}/19495_2.png","trust_level":0},{"id":17317,"username":"siyusong378","name":"思宇 宋","avatar_template":"/user_avatar/matsci.org/siyusong378/{size}/18870_2.png","trust_level":1},{"id":23638,"username":"daimi","name":"yutongli","avatar_template":"/letter_avatar_proxy/v4/letter/d/bbce88/{size}.png","trust_level":1},{"id":16961,"username":"Jiang_Luo","name":"Jiang Luo","avatar_template":"/user_avatar/matsci.org/jiang_luo/{size}/18329_2.png","trust_level":0},{"id":23306,"username":"shweta_logon","name":"shweta logon","avatar_template":"/user_avatar/matsci.org/shweta_logon/{size}/25622_2.png","trust_level":1},{"id":20426,"username":"kin","name":"kin zhou kinzhou","avatar_template":"/letter_avatar_proxy/v4/letter/k/b9e5f3/{size}.png","trust_level":1},{"id":21053,"username":"suhang","name":"hang su","avatar_template":"/letter_avatar_proxy/v4/letter/s/90db22/{size}.png","trust_level":1},{"id":19123,"username":"17171717","name":"llw","avatar_template":"/letter_avatar_proxy/v4/letter/1/e19adc/{size}.png","trust_level":1},{"id":20638,"username":"JINXI_LYU","name":"JINXI LYU","avatar_template":"/user_avatar/matsci.org/jinxi_lyu/{size}/23220_2.png","trust_level":0},{"id":23222,"username":"zhuangma1","name":"Zhuang Ma","avatar_template":"/letter_avatar_proxy/v4/letter/z/34f0e0/{size}.png","trust_level":1},{"id":18507,"username":"yjhao","name":"","avatar_template":"/user_avatar/matsci.org/yjhao/{size}/20785_2.png","trust_level":1},{"id":22657,"username":"Wasifa_Mashiyath","name":"Wasifa Mashiyath","avatar_template":"/user_avatar/matsci.org/wasifa_mashiyath/{size}/24986_2.png","trust_level":1},{"id":23076,"username":"wf1","name":"","avatar_template":"/letter_avatar_proxy/v4/letter/w/cc9497/{size}.png","trust_level":1},{"id":23072,"username":"yingchen","name":"","avatar_template":"/letter_avatar_proxy/v4/letter/y/c57346/{size}.png","trust_level":1},{"id":23023,"username":"mmahmoud1010","name":"Mmahmoud1010","avatar_template":"/user_avatar/matsci.org/mmahmoud1010/{size}/25335_2.png","trust_level":0},{"id":21413,"username":"muthu","name":"Muthu Vallinayagam","avatar_template":"/user_avatar/matsci.org/muthu/{size}/24136_2.png","trust_level":1},{"id":22597,"username":"chen_wang","name":"chen wang","avatar_template":"/user_avatar/matsci.org/chen_wang/{size}/21572_2.png","trust_level":0},{"id":13943,"username":"Arindam_Sannyal","name":"Arindam Sannyal","avatar_template":"/user_avatar/matsci.org/arindam_sannyal/{size}/14388_2.png","trust_level":1},{"id":22622,"username":"Grimenes","name":"Øven A. Grimenes","avatar_template":"/letter_avatar_proxy/v4/letter/g/858c86/{size}.png","trust_level":1},{"id":17738,"username":"ytzhang","name":"ytz","avatar_template":"/letter_avatar_proxy/v4/letter/y/dc4da7/{size}.png","trust_level":1},{"id":19136,"username":"pengfei","name":"minds","avatar_template":"/letter_avatar_proxy/v4/letter/p/7ab992/{size}.png","trust_level":1},{"id":21257,"username":"Masoud37","name":"","avatar_template":"/letter_avatar_proxy/v4/letter/m/5daacb/{size}.png","trust_level":1},{"id":22495,"username":"Jhon_W_Gonzalez","name":"Jhon W González","avatar_template":"/user_avatar/matsci.org/jhon_w_gonzalez/{size}/24851_2.png","trust_level":0},{"id":22143,"username":"rafathaq","name":"Md. Rafatul Haq","avatar_template":"/user_avatar/matsci.org/rafathaq/{size}/24519_2.png","trust_level":1},{"id":20686,"username":"Amber","name":"Liu Jiaqi","avatar_template":"/letter_avatar_proxy/v4/letter/a/9fc348/{size}.png","trust_level":1},{"id":18934,"username":"Zane","name":"","avatar_template":"/user_avatar/matsci.org/zane/{size}/21112_2.png","trust_level":1},{"id":15715,"username":"fengchu01","name":"Fengchu","avatar_template":"/user_avatar/matsci.org/fengchu01/{size}/17483_2.png","trust_level":1},{"id":20121,"username":"YYP2025","name":"y yp","avatar_template":"/letter_avatar_proxy/v4/letter/y/71c47a/{size}.png","trust_level":1},{"id":13094,"username":"Himanshu_Sharma","name":"Himanshu Sharma","avatar_template":"/user_avatar/matsci.org/himanshu_sharma/{size}/13575_2.png","trust_level":1},{"id":21038,"username":"Wenjiang_Zhou","name":"Wenjiang Zhou","avatar_template":"/user_avatar/matsci.org/wenjiang_zhou/{size}/21139_2.png","trust_level":0},{"id":1608,"username":"wangdy","name":"","avatar_template":"/letter_avatar_proxy/v4/letter/w/8e7dd6/{size}.png","trust_level":1},{"id":15331,"username":"Shaofei_Wang","name":"Shaofei Wang","avatar_template":"/user_avatar/matsci.org/shaofei_wang/{size}/13949_2.png","trust_level":1},{"id":17287,"username":"singh","name":"shubham singh","avatar_template":"/letter_avatar_proxy/v4/letter/s/43a26b/{size}.png","trust_level":1},{"id":20793,"username":"ZackTack","name":"","avatar_template":"/letter_avatar_proxy/v4/letter/z/a5b964/{size}.png","trust_level":1}],"primary_groups":[],"flair_groups":[],"topic_list":{"can_create_topic":false,"more_topics_url":"/c/amset/17?page=1","per_page":30,"top_tags":[{"id":30,"name":"error","slug":"error"},{"id":10,"name":"amset","slug":"amset"},{"id":7,"name":"howto","slug":"howto"},{"id":1,"name":"bug-report","slug":"bug-report"},{"id":18,"name":"pymatgen","slug":"pymatgen"}],"topics":[{"fancy_title":"About the amset category","id":2900,"title":"About the amset category","slug":"about-the-amset-category","posts_count":2,"reply_count":0,"highest_post_number":2,"image_url":null,"created_at":"2019-11-11T23:05:39.815Z","last_posted_at":"2020-09-24T08:00:07.778Z","bumped":true,"bumped_at":"2020-09-24T08:00:07.778Z","archetype":"regular","unseen":false,"pinned":true,"unpinned":null,"excerpt":"Questions related to the amset electronic transport software. Bug reports should go directly to the GitHub Issues page. \nAll users and developers are welcome to post general questions, issues, or suggestions about the so…","visible":true,"closed":false,"archived":false,"bookmarked":null,"liked":null,"tags":[],"tags_descriptions":{},"views":1673,"like_count":0,"has_summary":false,"last_poster_username":"naveenjaat","category_id":17,"op_like_count":0,"pinned_globally":false,"featured_link":null,"has_accepted_answer":false,"can_vote":false,"posters":[{"extras":null,"description":"Original Poster","user_id":2170,"primary_group_id":null,"flair_group_id":null},{"extras":"latest","description":"Most Recent Poster","user_id":3428,"primary_group_id":null,"flair_group_id":null}]},{"fancy_title":"Amset phonon-frequency calculation for polar materials","id":67074,"title":"Amset phonon-frequency calculation for polar materials","slug":"amset-phonon-frequency-calculation-for-polar-materials","posts_count":2,"reply_count":0,"highest_post_number":2,"image_url":null,"created_at":"2026-04-18T20:55:15.038Z","last_posted_at":"2026-04-20T09:51:52.382Z","bumped":true,"bumped_at":"2026-04-20T09:51:52.382Z","archetype":"regular","unseen":false,"pinned":false,"unpinned":null,"excerpt":"Dear Alex, \nI’m encountering some confusion regarding how to correctly prepare inputs for the “amset phonon frequency” command when working with polar materials in VASP. \nIn the AMSET documentation it is written that “Th…","visible":true,"closed":false,"archived":false,"bookmarked":null,"liked":null,"tags":[],"tags_descriptions":{},"views":10,"like_count":0,"has_summary":false,"last_poster_username":"alex","category_id":17,"op_like_count":0,"pinned_globally":false,"featured_link":null,"has_accepted_answer":false,"can_vote":false,"posters":[{"extras":null,"description":"Original Poster","user_id":18842,"primary_group_id":null,"flair_group_id":null},{"extras":"latest","description":"Most Recent Poster","user_id":2170,"primary_group_id":null,"flair_group_id":null}]},{"fancy_title":"Unreasonable pop_frequency when considering NAC","id":64756,"title":"Unreasonable pop_frequency when considering NAC","slug":"unreasonable-pop-frequency-when-considering-nac","posts_count":2,"reply_count":0,"highest_post_number":2,"image_url":null,"created_at":"2025-07-28T10:57:39.460Z","last_posted_at":"2025-10-17T09:29:23.512Z","bumped":true,"bumped_at":"2025-10-17T09:29:23.512Z","archetype":"regular","unseen":false,"pinned":false,"unpinned":null,"excerpt":"Dear Expert, \nI’m currently attempting to calculate the pop_frequency of BAs using NAC, but the results are unreasonable. The issue lies in the improper allocation of weights, as detailed below: \nNo NAC corrected file pr…","visible":true,"closed":false,"archived":false,"bookmarked":null,"liked":null,"tags":[],"tags_descriptions":{},"views":89,"like_count":0,"has_summary":false,"last_poster_username":"Shiva_Lingam","category_id":17,"op_like_count":0,"pinned_globally":false,"featured_link":null,"has_accepted_answer":false,"can_vote":false,"posters":[{"extras":null,"description":"Original Poster","user_id":23400,"primary_group_id":null,"flair_group_id":null},{"extras":"latest","description":"Most Recent Poster","user_id":15289,"primary_group_id":null,"flair_group_id":null}]},{"fancy_title":"Seebeck, electrical conductivity, power factor …","id":65563,"title":"Seebeck, electrical conductivity, power factor ...","slug":"seebeck-electrical-conductivity-power-factor","posts_count":1,"reply_count":0,"highest_post_number":1,"image_url":"https://matsci.org/uploads/default/original/3X/c/e/ce6fcf44172f9bab051b85d8c9d0404711c3c3c0.png","created_at":"2025-09-30T01:34:57.820Z","last_posted_at":"2025-09-30T01:34:57.914Z","bumped":true,"bumped_at":"2025-09-30T01:34:57.914Z","archetype":"regular","unseen":false,"pinned":false,"unpinned":null,"excerpt":"I want to extract the information from transport.json as it shown in the picture","visible":true,"closed":false,"archived":false,"bookmarked":null,"liked":null,"tags":[{"id":7,"name":"howto","slug":"howto"}],"tags_descriptions":{},"views":57,"like_count":0,"has_summary":false,"last_poster_username":"aissa_chaouli","category_id":17,"op_like_count":0,"pinned_globally":false,"featured_link":null,"has_accepted_answer":false,"can_vote":false,"posters":[{"extras":"latest single","description":"Original Poster, Most Recent Poster","user_id":23899,"primary_group_id":null,"flair_group_id":null}]},{"fancy_title":"About Anisotropy in Electron Transport Calculation for Monolayer MoS₂","id":65415,"title":"About Anisotropy in Electron Transport Calculation for Monolayer MoS₂","slug":"about-anisotropy-in-electron-transport-calculation-for-monolayer-mos","posts_count":1,"reply_count":0,"highest_post_number":1,"image_url":"https://matsci.org/uploads/default/original/3X/7/5/75a805f189718a2a093cd87c374d435fd3462563.png","created_at":"2025-09-19T12:47:22.471Z","last_posted_at":"2025-09-19T12:47:22.561Z","bumped":true,"bumped_at":"2025-09-19T12:47:22.561Z","archetype":"regular","unseen":false,"pinned":false,"unpinned":null,"excerpt":"Dear Alex, \nI hope this email finds you well. \nRecently, I encountered an issue while calculating the electron transport properties of monolayer MoS₂, a two-dimensional material that is expected to exhibit isotropic beha…","visible":true,"closed":false,"archived":false,"bookmarked":null,"liked":null,"tags":[],"tags_descriptions":{},"views":116,"like_count":0,"has_summary":false,"last_poster_username":"Letitia","category_id":17,"op_like_count":0,"pinned_globally":false,"featured_link":null,"has_accepted_answer":false,"can_vote":false,"posters":[{"extras":"latest single","description":"Original Poster, Most Recent Poster","user_id":23791,"primary_group_id":null,"flair_group_id":null}]},{"fancy_title":"How to calculate AMSET","id":65408,"title":"How to calculate AMSET","slug":"how-to-calculate-amset","posts_count":1,"reply_count":0,"highest_post_number":1,"image_url":null,"created_at":"2025-09-19T07:14:57.305Z","last_posted_at":"2025-09-19T07:14:57.385Z","bumped":true,"bumped_at":"2025-09-19T07:14:57.385Z","archetype":"regular","unseen":false,"pinned":false,"unpinned":null,"excerpt":"I just started using AMSET program. Please guide me how to use it.","visible":true,"closed":false,"archived":false,"bookmarked":null,"liked":null,"tags":[],"tags_descriptions":{},"views":62,"like_count":0,"has_summary":false,"last_poster_username":"iyaratounrit","category_id":17,"op_like_count":0,"pinned_globally":false,"featured_link":null,"has_accepted_answer":false,"can_vote":false,"posters":[{"extras":"latest single","description":"Original Poster, Most Recent Poster","user_id":23800,"primary_group_id":null,"flair_group_id":null}]},{"fancy_title":"Clarification regarding deformation potential values","id":52247,"title":"Clarification regarding deformation potential values","slug":"clarification-regarding-deformation-potential-values","posts_count":3,"reply_count":0,"highest_post_number":3,"image_url":null,"created_at":"2023-11-30T21:12:38.772Z","last_posted_at":"2025-08-30T05:08:48.808Z","bumped":true,"bumped_at":"2025-08-30T05:08:48.808Z","archetype":"regular","unseen":false,"pinned":false,"unpinned":null,"excerpt":"Dear @alex , \nI am trying to match the deformation potential values for silicon with the values reported in the supplementary information for the AMSET paper, which are reported as 6.5,1.1,1.1 for valence bands and 8.1,0…","visible":true,"closed":false,"archived":false,"bookmarked":null,"liked":null,"tags":[],"tags_descriptions":{},"views":563,"like_count":0,"has_summary":false,"last_poster_username":"daimi","category_id":17,"op_like_count":0,"pinned_globally":false,"featured_link":null,"has_accepted_answer":false,"can_vote":false,"posters":[{"extras":null,"description":"Original Poster","user_id":17808,"primary_group_id":null,"flair_group_id":null},{"extras":null,"description":"Frequent Poster","user_id":17317,"primary_group_id":null,"flair_group_id":null},{"extras":"latest","description":"Most Recent Poster","user_id":23638,"primary_group_id":null,"flair_group_id":null}]},{"fancy_title":"IndexError: list index out of range after command “amset phonon-frequency”","id":50158,"title":"IndexError: list index out of range after command \"amset phonon-frequency\"","slug":"indexerror-list-index-out-of-range-after-command-amset-phonon-frequency","posts_count":2,"reply_count":0,"highest_post_number":2,"image_url":null,"created_at":"2023-08-11T14:27:18.235Z","last_posted_at":"2025-08-16T05:38:42.442Z","bumped":true,"bumped_at":"2025-08-16T05:38:42.442Z","archetype":"regular","unseen":false,"pinned":false,"unpinned":null,"excerpt":"Hi, \nI ran a DFPT calculation and used “amset phonon-frequency” to extract the optical phonon frequency. However, it has the error below"Traceback (most recent call last): \nFile “/home1/06461/tg857602/.local/bin/amset”, …","visible":true,"closed":false,"archived":false,"bookmarked":null,"liked":null,"tags":[],"tags_descriptions":{},"views":327,"like_count":0,"has_summary":false,"last_poster_username":"shweta_logon","category_id":17,"op_like_count":0,"pinned_globally":false,"featured_link":null,"has_accepted_answer":false,"can_vote":false,"posters":[{"extras":null,"description":"Original Poster","user_id":16961,"primary_group_id":null,"flair_group_id":null},{"extras":"latest","description":"Most Recent Poster","user_id":23306,"primary_group_id":null,"flair_group_id":null}]},{"fancy_title":"Amset phonon-frequency error","id":58483,"title":"Amset phonon-frequency error","slug":"amset-phonon-frequency-error","posts_count":2,"reply_count":0,"highest_post_number":2,"image_url":null,"created_at":"2024-10-24T07:51:49.881Z","last_posted_at":"2025-08-16T05:37:45.422Z","bumped":true,"bumped_at":"2025-08-16T05:37:45.422Z","archetype":"regular","unseen":false,"pinned":false,"unpinned":null,"excerpt":"ValueError: shapes (0,) and (3,) not aligned: 0 (dim 0) != 3 (dim 0) \nHow to solve this problem? \nPlease \nKin","visible":true,"closed":false,"archived":false,"bookmarked":null,"liked":null,"tags":[{"id":10,"name":"amset","slug":"amset"}],"tags_descriptions":{},"views":74,"like_count":0,"has_summary":false,"last_poster_username":"shweta_logon","category_id":17,"op_like_count":0,"pinned_globally":false,"featured_link":null,"has_accepted_answer":false,"can_vote":false,"posters":[{"extras":null,"description":"Original Poster","user_id":20426,"primary_group_id":null,"flair_group_id":null},{"extras":"latest","description":"Most Recent Poster","user_id":23306,"primary_group_id":null,"flair_group_id":null}]},{"fancy_title":"About 2D materials","id":59839,"title":"About 2D materials","slug":"about-2d-materials","posts_count":2,"reply_count":0,"highest_post_number":2,"image_url":null,"created_at":"2024-12-25T09:53:54.442Z","last_posted_at":"2025-08-12T12:09:33.369Z","bumped":true,"bumped_at":"2025-08-12T12:09:33.369Z","archetype":"regular","unseen":false,"pinned":false,"unpinned":null,"excerpt":"Hi, Can the latest version of AMSET calculate the scattering rate and mobility of 2D materials?","visible":true,"closed":false,"archived":false,"bookmarked":null,"liked":null,"tags":[],"tags_descriptions":{},"views":209,"like_count":0,"has_summary":false,"last_poster_username":"shweta_logon","category_id":17,"op_like_count":0,"pinned_globally":false,"featured_link":null,"has_accepted_answer":false,"can_vote":false,"posters":[{"extras":null,"description":"Original Poster","user_id":21053,"primary_group_id":null,"flair_group_id":null},{"extras":"latest","description":"Most Recent Poster","user_id":23306,"primary_group_id":null,"flair_group_id":null}]},{"fancy_title":"AMSET Handling for 2D Materials","id":64587,"title":"AMSET Handling for 2D Materials","slug":"amset-handling-for-2d-materials","posts_count":1,"reply_count":0,"highest_post_number":1,"image_url":null,"created_at":"2025-07-16T07:10:10.596Z","last_posted_at":"2025-07-16T07:10:10.755Z","bumped":true,"bumped_at":"2025-07-16T07:10:10.755Z","archetype":"regular","unseen":false,"pinned":false,"unpinned":null,"excerpt":"Dear Prof. @alex , \nI am writing to seek clarification regarding the methodology employed for charge transport calculations using AMSET in the case of 2D materials. \nFor example, the elastic constants obtained using the …","visible":true,"closed":false,"archived":false,"bookmarked":null,"liked":null,"tags":[],"tags_descriptions":{},"views":140,"like_count":0,"has_summary":false,"last_poster_username":"shweta_logon","category_id":17,"op_like_count":0,"pinned_globally":false,"featured_link":null,"has_accepted_answer":false,"can_vote":false,"posters":[{"extras":"latest single","description":"Original Poster, Most Recent Poster","user_id":23306,"primary_group_id":null,"flair_group_id":null}]},{"fancy_title":"RuntimeError: Calculations were not performed using the same k-point mesh (3, 3, 3) != (3, 3, 1)","id":55500,"title":"RuntimeError: Calculations were not performed using the same k-point mesh (3, 3, 3) != (3, 3, 1)","slug":"runtimeerror-calculations-were-not-performed-using-the-same-k-point-mesh-3-3-3-3-3-1","posts_count":3,"reply_count":1,"highest_post_number":5,"image_url":"https://matsci.org/uploads/default/original/3X/2/0/20e296a36696580a8793b5da189d53f52e9838dd.png","created_at":"2024-05-23T03:01:42.131Z","last_posted_at":"2025-07-09T08:49:37.857Z","bumped":true,"bumped_at":"2025-07-09T08:49:37.857Z","archetype":"regular","unseen":false,"pinned":false,"unpinned":null,"excerpt":"I am sure that the KPOINTS (3 3 3) in all files are consistent, but in undeformed it always shows that I am inconsistent. Is there any solution?","visible":true,"closed":false,"archived":false,"bookmarked":null,"liked":null,"tags":[{"id":30,"name":"error","slug":"error"},{"id":10,"name":"amset","slug":"amset"}],"tags_descriptions":{},"views":406,"like_count":0,"has_summary":false,"last_poster_username":"zhuangma1","category_id":17,"op_like_count":0,"pinned_globally":false,"featured_link":null,"has_accepted_answer":false,"can_vote":false,"posters":[{"extras":null,"description":"Original Poster","user_id":19123,"primary_group_id":null,"flair_group_id":null},{"extras":null,"description":"Frequent Poster","user_id":20638,"primary_group_id":null,"flair_group_id":null},{"extras":"latest","description":"Most Recent Poster","user_id":23222,"primary_group_id":null,"flair_group_id":null}]},{"fancy_title":"NaN value of IMP calculation in AMSET","id":63796,"title":"NaN value of IMP calculation in AMSET","slug":"nan-value-of-imp-calculation-in-amset","posts_count":5,"reply_count":1,"highest_post_number":5,"image_url":null,"created_at":"2025-06-01T00:59:17.172Z","last_posted_at":"2025-06-23T01:35:20.731Z","bumped":true,"bumped_at":"2025-06-23T01:35:20.731Z","archetype":"regular","unseen":false,"pinned":false,"unpinned":null,"excerpt":"Dear Alex, \nThank you for developing and maintaining that code. \nI am trying to calculate with CoAs3  with this code. \nI keep getting NaN values while performing the IMP calculation. I do not what happened. How to solve …","visible":true,"closed":false,"archived":false,"bookmarked":null,"liked":null,"tags":[],"tags_descriptions":{},"views":150,"like_count":1,"has_summary":false,"last_poster_username":"wf1","category_id":17,"op_like_count":0,"pinned_globally":false,"featured_link":null,"has_accepted_answer":false,"can_vote":false,"posters":[{"extras":null,"description":"Original Poster","user_id":18507,"primary_group_id":null,"flair_group_id":null},{"extras":null,"description":"Frequent Poster","user_id":22657,"primary_group_id":null,"flair_group_id":null},{"extras":"latest","description":"Most Recent Poster","user_id":23076,"primary_group_id":null,"flair_group_id":null}]},{"fancy_title":"Error in scattering rate calculations for a spin-polarized material","id":64167,"title":"Error in scattering rate calculations for a spin-polarized material","slug":"error-in-scattering-rate-calculations-for-a-spin-polarized-material","posts_count":1,"reply_count":0,"highest_post_number":1,"image_url":null,"created_at":"2025-06-21T06:57:51.248Z","last_posted_at":"2025-06-21T06:57:51.371Z","bumped":true,"bumped_at":"2025-06-21T06:57:51.371Z","archetype":"regular","unseen":false,"pinned":false,"unpinned":null,"excerpt":"Hi everyone, \nI am trying to use the latest version of AMSET to calculate the scattering rate for a spin-polarized material, but I have encountered the error mentioned below.  How can I fix it? \n             █████╗ ███╗ …","visible":true,"closed":false,"archived":false,"bookmarked":null,"liked":null,"tags":[],"tags_descriptions":{},"views":75,"like_count":0,"has_summary":false,"last_poster_username":"yingchen","category_id":17,"op_like_count":0,"pinned_globally":false,"featured_link":null,"has_accepted_answer":false,"can_vote":false,"posters":[{"extras":"latest single","description":"Original Poster, Most Recent Poster","user_id":23072,"primary_group_id":null,"flair_group_id":null}]},{"fancy_title":"Difficulty Reproducing Dielectric Constants for GaAs in AMSET Example","id":64069,"title":"Difficulty Reproducing Dielectric Constants for GaAs in AMSET Example","slug":"difficulty-reproducing-dielectric-constants-for-gaas-in-amset-example","posts_count":1,"reply_count":0,"highest_post_number":1,"image_url":null,"created_at":"2025-06-16T17:20:29.212Z","last_posted_at":"2025-06-16T17:20:29.289Z","bumped":true,"bumped_at":"2025-06-16T17:20:29.289Z","archetype":"regular","unseen":false,"pinned":false,"unpinned":null,"excerpt":"Hi, \nI have recently started working with AMSET, and as a first step, I am attempting to reproduce the GaAs example provided on the GitHub repository (amset/examples at main · hackingmaterials/amset · GitHub). \nThis is m…","visible":true,"closed":false,"archived":false,"bookmarked":null,"liked":null,"tags":[],"tags_descriptions":{},"views":69,"like_count":0,"has_summary":false,"last_poster_username":"mmahmoud1010","category_id":17,"op_like_count":0,"pinned_globally":false,"featured_link":null,"has_accepted_answer":false,"can_vote":false,"posters":[{"extras":"latest single","description":"Original Poster, Most Recent Poster","user_id":23023,"primary_group_id":null,"flair_group_id":null}]},{"fancy_title":"numpy.linalg.LinAlgError: SVD did not converge for IMP","id":60805,"title":"numpy.linalg.LinAlgError: SVD did not converge for IMP","slug":"numpy-linalg-linalgerror-svd-did-not-converge-for-imp","posts_count":2,"reply_count":0,"highest_post_number":2,"image_url":null,"created_at":"2025-02-19T12:34:59.096Z","last_posted_at":"2025-05-31T04:06:00.332Z","bumped":true,"bumped_at":"2025-05-31T04:06:00.332Z","archetype":"regular","unseen":false,"pinned":false,"unpinned":null,"excerpt":"Dear developers and users, \nI have some issues with calculating the scattering rate using the IMP mechanism. The complete output of AMSET is below. The transport calculation fails since the rate is  nan for IMP. fine, ag…","visible":true,"closed":false,"archived":false,"bookmarked":null,"liked":null,"tags":[],"tags_descriptions":{},"views":101,"like_count":0,"has_summary":false,"last_poster_username":"yjhao","category_id":17,"op_like_count":0,"pinned_globally":false,"featured_link":null,"has_accepted_answer":false,"can_vote":false,"posters":[{"extras":null,"description":"Original Poster","user_id":21413,"primary_group_id":null,"flair_group_id":null},{"extras":"latest","description":"Most Recent Poster","user_id":18507,"primary_group_id":null,"flair_group_id":null}]},{"fancy_title":"Error: Non-Analytical Term Correction (NAC) for Polar Materials","id":63247,"title":"Error: Non-Analytical Term Correction (NAC) for Polar Materials","slug":"error-non-analytical-term-correction-nac-for-polar-materials","posts_count":2,"reply_count":0,"highest_post_number":2,"image_url":null,"created_at":"2025-04-28T08:34:16.439Z","last_posted_at":"2025-05-14T14:43:38.175Z","bumped":true,"bumped_at":"2025-05-14T14:43:38.175Z","archetype":"regular","unseen":false,"pinned":false,"unpinned":null,"excerpt":"I tried a nac calculated for In2O3 system, containing 40 atoms. When I used “amset phonon-frequency -o2 OUTCAR” to extracted POP frequency, “ValueError: cannot reshape array of size 120 into shape (3,3)” occurs. I found …","visible":true,"closed":false,"archived":false,"bookmarked":null,"liked":null,"tags":[],"tags_descriptions":{},"views":108,"like_count":0,"has_summary":false,"last_poster_username":"Shiva_Lingam","category_id":17,"op_like_count":0,"pinned_globally":false,"featured_link":null,"has_accepted_answer":false,"can_vote":false,"posters":[{"extras":null,"description":"Original Poster","user_id":22597,"primary_group_id":null,"flair_group_id":null},{"extras":"latest","description":"Most Recent Poster","user_id":15289,"primary_group_id":null,"flair_group_id":null}]},{"fancy_title":"Error during Desymmetrizing wavefunction coefficients","id":63074,"title":"Error during Desymmetrizing wavefunction coefficients","slug":"error-during-desymmetrizing-wavefunction-coefficients","posts_count":3,"reply_count":0,"highest_post_number":3,"image_url":null,"created_at":"2025-04-18T09:20:08.114Z","last_posted_at":"2025-05-08T02:24:42.811Z","bumped":true,"bumped_at":"2025-05-08T02:24:42.811Z","archetype":"regular","unseen":false,"pinned":false,"unpinned":null,"excerpt":"Dear Altruists, \nI am calculating the mobility of hexagonal GaN of space group P63mc. I used a k-point mesh of 8x8x5 for the generation of bandstructure and wavefunction.h5. But I got an error in desymmetrizing wavefunct…","visible":true,"closed":false,"archived":false,"bookmarked":null,"liked":null,"tags":[],"tags_descriptions":{},"views":122,"like_count":0,"has_summary":false,"last_poster_username":"Arindam_Sannyal","category_id":17,"op_like_count":0,"pinned_globally":false,"featured_link":null,"has_accepted_answer":false,"can_vote":false,"posters":[{"extras":"latest","description":"Original Poster, Most Recent Poster","user_id":13943,"primary_group_id":null,"flair_group_id":null},{"extras":null,"description":"Frequent Poster","user_id":22622,"primary_group_id":null,"flair_group_id":null}]},{"fancy_title":"Amset deform read with pymatgen Symmetry Undetermined Error","id":58999,"title":"Amset deform read with pymatgen Symmetry Undetermined Error","slug":"amset-deform-read-with-pymatgen-symmetry-undetermined-error","posts_count":2,"reply_count":0,"highest_post_number":2,"image_url":null,"created_at":"2024-11-20T04:07:43.561Z","last_posted_at":"2025-05-06T11:47:26.621Z","bumped":true,"bumped_at":"2025-05-06T11:47:26.621Z","archetype":"regular","unseen":false,"pinned":false,"unpinned":null,"excerpt":"Hi everyone, \nwhen I run $ amset deform read ./undeform ./001 ./002 ./003 ./004 ./005 ./006 \nthe following error pop up: \n\nTraceback (most recent call last): \nFile “/home/wa9055/miniconda3/envs/amset/bin/amset”, line 10,…","visible":true,"closed":false,"archived":false,"bookmarked":null,"liked":null,"tags":[{"id":30,"name":"error","slug":"error"},{"id":18,"name":"pymatgen","slug":"pymatgen"}],"tags_descriptions":{},"views":142,"like_count":0,"has_summary":false,"last_poster_username":"pengfei","category_id":17,"op_like_count":0,"pinned_globally":false,"featured_link":null,"has_accepted_answer":false,"can_vote":false,"posters":[{"extras":null,"description":"Original Poster","user_id":17738,"primary_group_id":null,"flair_group_id":null},{"extras":"latest","description":"Most Recent Poster","user_id":19136,"primary_group_id":null,"flair_group_id":null}]},{"fancy_title":"AMSET ValueError for 2D system","id":60756,"title":"AMSET ValueError for 2D system","slug":"amset-valueerror-for-2d-system","posts_count":2,"reply_count":0,"highest_post_number":2,"image_url":null,"created_at":"2025-02-17T12:13:18.108Z","last_posted_at":"2025-04-19T14:58:50.900Z","bumped":true,"bumped_at":"2025-04-19T14:58:50.900Z","archetype":"regular","unseen":false,"pinned":false,"unpinned":null,"excerpt":"Hello, \nI got this error for carrier mobility for a 2D system using AMSET package: \nraise ValueError(f"Expected {n_expected} points but found \n{n_mapped}") \nValueError: Expected 6498 points but found 256 \nCan you help me…","visible":true,"closed":false,"archived":false,"bookmarked":null,"liked":null,"tags":[],"tags_descriptions":{},"views":196,"like_count":0,"has_summary":false,"last_poster_username":"Jhon_W_Gonzalez","category_id":17,"op_like_count":0,"pinned_globally":false,"featured_link":null,"has_accepted_answer":false,"can_vote":false,"posters":[{"extras":null,"description":"Original Poster","user_id":21257,"primary_group_id":null,"flair_group_id":null},{"extras":"latest","description":"Most Recent Poster","user_id":22495,"primary_group_id":null,"flair_group_id":null}]},{"fancy_title":"MACROSCOPIC STATIC DIELECTRIC TENSOR","id":61964,"title":"MACROSCOPIC STATIC DIELECTRIC TENSOR","slug":"macroscopic-static-dielectric-tensor","posts_count":1,"reply_count":0,"highest_post_number":1,"image_url":null,"created_at":"2025-03-17T14:29:12.670Z","last_posted_at":"2025-03-17T14:29:12.814Z","bumped":true,"bumped_at":"2025-03-17T14:42:07.265Z","archetype":"regular","unseen":false,"pinned":false,"unpinned":null,"excerpt":"I performed a DFPT calculation for GdFeO₃ and checked the MACROSCOPIC STATIC DIELECTRIC TENSOR in the OUTCAR file. However, the obtained values seem unusually large compared to typical results. Usually, these values are …","visible":true,"closed":false,"archived":false,"bookmarked":null,"liked":null,"tags":[{"id":30,"name":"error","slug":"error"}],"tags_descriptions":{},"views":90,"like_count":0,"has_summary":false,"last_poster_username":"rafathaq","category_id":17,"op_like_count":0,"pinned_globally":false,"featured_link":null,"has_accepted_answer":false,"can_vote":false,"posters":[{"extras":"latest single","description":"Original Poster, Most Recent Poster","user_id":22143,"primary_group_id":null,"flair_group_id":null}]},{"fancy_title":"ValueError: Rotation matrix is not valid","id":61835,"title":"ValueError: Rotation matrix is not valid","slug":"valueerror-rotation-matrix-is-not-valid","posts_count":1,"reply_count":0,"highest_post_number":1,"image_url":null,"created_at":"2025-03-12T16:05:35.142Z","last_posted_at":"2025-03-12T16:05:35.250Z","bumped":true,"bumped_at":"2025-03-12T16:05:35.250Z","archetype":"regular","unseen":false,"pinned":false,"unpinned":null,"excerpt":"Dear developers and users, \nWhen calculating the deformation potential for a bulk material, I encountered the error “ValueError: Rotation matrix is not valid.” while executing the ‘amset deform read’ command. I would lik…","visible":true,"closed":false,"archived":false,"bookmarked":null,"liked":null,"tags":[{"id":30,"name":"error","slug":"error"}],"tags_descriptions":{},"views":42,"like_count":0,"has_summary":false,"last_poster_username":"Amber","category_id":17,"op_like_count":0,"pinned_globally":false,"featured_link":null,"has_accepted_answer":false,"can_vote":false,"posters":[{"extras":"latest single","description":"Original Poster, Most Recent Poster","user_id":20686,"primary_group_id":null,"flair_group_id":null}]},{"fancy_title":"No variations in mobility - AMSET 2D materials","id":60781,"title":"No variations in mobility - AMSET 2D materials","slug":"no-variations-in-mobility-amset-2d-materials","posts_count":8,"reply_count":4,"highest_post_number":8,"image_url":"https://matsci.org/uploads/default/optimized/3X/7/1/71ad421017f185b8a176c793e31fe4e510665fee_2_1024x455.png","created_at":"2025-02-18T10:53:41.084Z","last_posted_at":"2025-03-01T22:58:22.655Z","bumped":true,"bumped_at":"2025-03-01T22:58:22.655Z","archetype":"regular","unseen":false,"pinned":false,"unpinned":null,"excerpt":"Dear developers and users, \nRecently I started to use AMSET and trying to understand its functionality. I am trying to calculate the scattering rate and mobility for a 2D material. I generated wavefunction.h5 and deforma…","visible":true,"closed":false,"archived":false,"bookmarked":null,"liked":null,"tags":[{"id":7,"name":"howto","slug":"howto"},{"id":30,"name":"error","slug":"error"},{"id":1,"name":"bug-report","slug":"bug-report"},{"id":10,"name":"amset","slug":"amset"}],"tags_descriptions":{},"views":290,"like_count":0,"has_summary":false,"last_poster_username":"Zane","category_id":17,"op_like_count":0,"pinned_globally":false,"featured_link":null,"has_accepted_answer":false,"can_vote":false,"posters":[{"extras":null,"description":"Original Poster","user_id":21413,"primary_group_id":null,"flair_group_id":null},{"extras":"latest","description":"Most Recent Poster","user_id":18934,"primary_group_id":null,"flair_group_id":null}]},{"fancy_title":"RuntimeError: Overlap calculator does not have the correct number of bands","id":60793,"title":"RuntimeError: Overlap calculator does not have the correct number of bands","slug":"runtimeerror-overlap-calculator-does-not-have-the-correct-number-of-bands","posts_count":1,"reply_count":0,"highest_post_number":1,"image_url":null,"created_at":"2025-02-18T20:54:21.409Z","last_posted_at":"2025-02-18T20:54:21.684Z","bumped":true,"bumped_at":"2025-02-18T20:54:21.684Z","archetype":"regular","unseen":false,"pinned":false,"unpinned":null,"excerpt":"Dear developers and users, \nI try to control number bands while creating wavefunction.h5 as follows \n\n$> amset wave -w WAVECAR -b 13:16 -z prefer \n******* Getting wavefunction coefficients ******* \nIncluding bands 13—16 \n…","visible":true,"closed":false,"archived":false,"bookmarked":null,"liked":null,"tags":[{"id":7,"name":"howto","slug":"howto"},{"id":30,"name":"error","slug":"error"},{"id":10,"name":"amset","slug":"amset"}],"tags_descriptions":{},"views":111,"like_count":0,"has_summary":false,"last_poster_username":"muthu","category_id":17,"op_like_count":0,"pinned_globally":false,"featured_link":null,"has_accepted_answer":false,"can_vote":false,"posters":[{"extras":"latest single","description":"Original Poster, Most Recent Poster","user_id":21413,"primary_group_id":null,"flair_group_id":null}]},{"fancy_title":"numpy.linalg.LinAlgError: SVD did not converge for a 3D system","id":48530,"title":"numpy.linalg.LinAlgError: SVD did not converge for a 3D system","slug":"numpy-linalg-linalgerror-svd-did-not-converge-for-a-3d-system","posts_count":3,"reply_count":0,"highest_post_number":3,"image_url":null,"created_at":"2023-05-12T09:57:27.290Z","last_posted_at":"2025-02-10T10:33:50.611Z","bumped":true,"bumped_at":"2025-02-10T10:33:50.611Z","archetype":"regular","unseen":false,"pinned":false,"unpinned":null,"excerpt":"Dear Alex, \nI am calculating the conductivity for a 3D system. All was going well on AMSET until I changed the doping part from -1E18:-1E21:17 to -1E6:-1E9:17. There is an error like “numpy.linalg.LinAlgError: SVD did no…","visible":true,"closed":false,"archived":false,"bookmarked":null,"liked":null,"tags":[{"id":10,"name":"amset","slug":"amset"}],"tags_descriptions":{},"views":567,"like_count":0,"has_summary":false,"last_poster_username":"muthu","category_id":17,"op_like_count":0,"pinned_globally":false,"featured_link":null,"has_accepted_answer":false,"can_vote":false,"posters":[{"extras":null,"description":"Original Poster","user_id":15715,"primary_group_id":null,"flair_group_id":null},{"extras":null,"description":"Frequent Poster","user_id":20121,"primary_group_id":null,"flair_group_id":null},{"extras":"latest","description":"Most Recent Poster","user_id":21413,"primary_group_id":null,"flair_group_id":null}]},{"fancy_title":"Issue regarding the scissor shift of actual band gap value","id":60623,"title":"Issue regarding the scissor shift of actual band gap value","slug":"issue-regarding-the-scissor-shift-of-actual-band-gap-value","posts_count":1,"reply_count":0,"highest_post_number":1,"image_url":"https://matsci.org/uploads/default/original/3X/b/d/bdfdec9bfa188130cb4f6184f9c757fec95ddc2d.png","created_at":"2025-02-09T20:38:06.729Z","last_posted_at":"2025-02-09T20:38:06.844Z","bumped":true,"bumped_at":"2025-02-09T20:47:33.580Z","archetype":"regular","unseen":false,"pinned":false,"unpinned":null,"excerpt":"Hi Alex, \nI encountered something unusual while calculating the monolayer’s properties. The bandgap value obtained using the HSE06 functional is 0.1554 eV, based on a 12x12x1 k-grid. I have entered this value in the sett…","visible":true,"closed":false,"archived":false,"bookmarked":null,"liked":null,"tags":[],"tags_descriptions":{},"views":50,"like_count":0,"has_summary":false,"last_poster_username":"Himanshu_Sharma","category_id":17,"op_like_count":0,"pinned_globally":false,"featured_link":null,"has_accepted_answer":false,"can_vote":false,"posters":[{"extras":"latest single","description":"Original Poster, Most Recent Poster","user_id":13094,"primary_group_id":null,"flair_group_id":null}]},{"fancy_title":"Error in POP frequency calculation","id":59774,"title":"Error in POP frequency calculation","slug":"error-in-pop-frequency-calculation","posts_count":2,"reply_count":0,"highest_post_number":2,"image_url":"https://matsci.org/uploads/default/original/3X/8/9/892bd2d91de6d0414a780a56fadb0d3b51e54b84.png","created_at":"2024-12-21T12:25:03.562Z","last_posted_at":"2024-12-31T14:38:14.332Z","bumped":true,"bumped_at":"2024-12-31T14:38:14.332Z","archetype":"regular","unseen":false,"pinned":false,"unpinned":null,"excerpt":"Hi @alex \nI have been trying to understand the electronic transport properties on few materials which are polar. In these materials, LO-TO splitting in the phonon dispersion is significant and is not captured in POP freq…","visible":true,"closed":false,"archived":false,"bookmarked":null,"liked":null,"tags":[{"id":30,"name":"error","slug":"error"},{"id":1,"name":"bug-report","slug":"bug-report"}],"tags_descriptions":{},"views":214,"like_count":0,"has_summary":false,"last_poster_username":"Shiva_Lingam","category_id":17,"op_like_count":0,"pinned_globally":false,"featured_link":null,"has_accepted_answer":false,"can_vote":false,"posters":[{"extras":"latest single","description":"Original Poster, Most Recent Poster","user_id":15289,"primary_group_id":null,"flair_group_id":null}]},{"fancy_title":"Error in the hole mobility of Silicon in the example of ASME","id":59809,"title":"Error in the hole mobility of Silicon in the example of ASME","slug":"error-in-the-hole-mobility-of-silicon-in-the-example-of-asme","posts_count":1,"reply_count":0,"highest_post_number":1,"image_url":null,"created_at":"2024-12-23T14:29:44.960Z","last_posted_at":"2024-12-23T14:29:45.151Z","bumped":true,"bumped_at":"2024-12-23T14:29:45.151Z","archetype":"regular","unseen":false,"pinned":false,"unpinned":null,"excerpt":"Dear Alex, \nI was used to perform EPW simulations to obtain the carrier mobility. Recently, I got that you have developed and released the ASME code. It is very powerful for electron simulations. I begin to use ASME for …","visible":true,"closed":false,"archived":false,"bookmarked":null,"liked":null,"tags":[],"tags_descriptions":{},"views":93,"like_count":1,"has_summary":false,"last_poster_username":"Wenjiang_Zhou","category_id":17,"op_like_count":1,"pinned_globally":false,"featured_link":null,"has_accepted_answer":false,"can_vote":false,"posters":[{"extras":"latest single","description":"Original Poster, Most Recent Poster","user_id":21038,"primary_group_id":null,"flair_group_id":null}]},{"fancy_title":"An error in amset deform read: raise ValueError(f”Expected {n_expected} points but found {n_mapped}","id":45728,"title":"An error in amset deform read: raise ValueError(f\"Expected {n_expected} points but found {n_mapped}","slug":"an-error-in-amset-deform-read-raise-valueerror-f-expected-n-expected-points-but-found-n-mapped","posts_count":4,"reply_count":1,"highest_post_number":5,"image_url":null,"created_at":"2022-12-02T16:27:53.228Z","last_posted_at":"2024-12-17T08:55:15.194Z","bumped":true,"bumped_at":"2024-12-17T08:55:15.194Z","archetype":"regular","unseen":false,"pinned":false,"unpinned":null,"excerpt":"Dear Alex, \nI encountered an error that “raise ValueError(f"Expected {n_expected} points but found {n_mapped}” in amset deform read module, the detail of this error as follows: \n(Amsetpy38) [chengsb@login10 deform]$ srun…","visible":true,"closed":false,"archived":false,"bookmarked":null,"liked":null,"tags":[{"id":30,"name":"error","slug":"error"}],"tags_descriptions":{},"views":792,"like_count":1,"has_summary":false,"last_poster_username":"singh","category_id":17,"op_like_count":0,"pinned_globally":false,"featured_link":null,"has_accepted_answer":false,"can_vote":false,"posters":[{"extras":null,"description":"Original Poster","user_id":1608,"primary_group_id":null,"flair_group_id":null},{"extras":null,"description":"Frequent Poster","user_id":15331,"primary_group_id":null,"flair_group_id":null},{"extras":"latest","description":"Most Recent Poster","user_id":17287,"primary_group_id":null,"flair_group_id":null}]},{"fancy_title":"Error when calculating deformation.h5:ERROR: Strains do not cover full tensor, check calculations","id":59593,"title":"Error when calculating deformation.h5:ERROR: Strains do not cover full tensor, check calculations","slug":"error-when-calculating-deformation-h5-strains-do-not-cover-full-tensor-check-calculations","posts_count":1,"reply_count":0,"highest_post_number":1,"image_url":"https://matsci.org/uploads/default/original/3X/3/5/35810049b318bd07ea46c9a4055a27712997f0cd.png","created_at":"2024-12-11T08:11:38.436Z","last_posted_at":"2024-12-11T08:11:38.566Z","bumped":true,"bumped_at":"2024-12-11T08:11:38.566Z","archetype":"regular","unseen":false,"pinned":false,"unpinned":null,"excerpt":"It works fine when I use VASP’s GGA generalisation to do first principles calculations in conjunction with AMSET to generate deformation.h5, but when I use the SCAN generalisation in metaGGA it reports an error:ERROR: St…","visible":true,"closed":false,"archived":false,"bookmarked":null,"liked":null,"unicode_title":"Error when calculating deformation.h5:ERROR: Strains do not cover full tensor, check calculations","tags":[{"id":30,"name":"error","slug":"error"}],"tags_descriptions":{},"views":53,"like_count":0,"has_summary":false,"last_poster_username":"ZackTack","category_id":17,"op_like_count":0,"pinned_globally":false,"featured_link":null,"has_accepted_answer":false,"can_vote":false,"posters":[{"extras":"latest single","description":"Original Poster, Most Recent Poster","user_id":20793,"primary_group_id":null,"flair_group_id":null}]}]}}