pymatgen

Topic	Replies	Views	Activity
Resources related to pymatgen and previous discussions pymatgen In addition to this forum, resources related to pymatgen can be found at: pymatgen.org for official documentation matgenb for example Jupyter notebooks GitHub issues for bug reports and known issues prior to this fo…	1	2523	November 8, 2019
About the pymatgen category pymatgen	0	789	October 30, 2019
Regarding Band gap from DOSCAR or Vasprun.xml pymatgen	5	8	September 8, 2024
How can I know if an entry from the mp-api is stable around room temperature? pymatgen howto , materials-project	0	4	September 8, 2024
CPU and GPU performance in VASP compilation pymatgen	0	5	September 8, 2024
How can you get_ieee_rotation without calculating the piezoelectric constants? pymatgen materials-project	0	3	September 7, 2024
The dos is not match with the band pymatgen	0	1	September 7, 2024
Ni Pourbaix Diagrams Inconsistent with Literature pymatgen	1	6	August 31, 2024
How to increase the Li content in candidate materials pymatgen	0	3	August 31, 2024
Problem with finding band structures of the crystal pymatgen custodian , pymatgen , materials-project	0	11	August 28, 2024
Qull wide merge error pymatgen error	0	8	August 26, 2024
An error occurred using SubstrateAnalyzer Class pymatgen pymatgen , error	0	10	August 21, 2024
Do I need to divide the numpy array myself in order to obtain the charge density in units 1/Å^3? pymatgen pymatgen , materials-project , howto	2	14	August 20, 2024
Understanding weights of SpaceGroupAnalyzer.get_ir_reciprocal_mesh() pymatgen pymatgen	0	5	August 15, 2024
Installation of MPInterfaces pymatgen error	1	13	August 12, 2024
MagneticStructureEnumerator - enumerating all possible magnetic spin configurations pymatgen	1	13	August 12, 2024
Pseudopotential install broken? pymatgen	3	45	July 25, 2024
To solve the error: "TypeError: 'CompoundPhaseDiagram' object is not iterable" pymatgen	8	818	July 21, 2024
How to calculate the minial coincident interface area (MCIA) using pymatgen's SubstrateAnalyzer? pymatgen pymatgen , howto	0	51	July 18, 2024
Pourbaix Diagram -Tempurature Adjustment pymatgen howto	1	59	July 12, 2024
Can anyone help me finding the error in my code? I have to find thermal conductivity of MoS2. But the energy is positive .How to solve this error? pymatgen lammps	3	104	June 23, 2024
Triclinic unit cell to cubic unit cell transformation pymatgen howto , pymatgen	1	90	June 20, 2024
How to fetch the single-layer structure from the MP database through the code pymatgen	0	51	June 18, 2024
Pymatgen File Extension Issue pymatgen	2	73	June 17, 2024
Ask about-Chemenv pymatgen pymatgen	0	62	June 16, 2024
Getting NELECT parameter from the queried DOS pymatgen pymatgen	2	82	June 10, 2024
How to redefine lattice by pymatgen pymatgen	2	175	May 22, 2024
How to understand the parameter of "reference_species" in VanHoveAnalysis class? pymatgen	0	92	May 21, 2024
Handling Fractional Occupancy in CIF to POSCAR Conversion pymatgen pymatgen	2	286	May 8, 2024
Pymatgen attribute error: specie pymatgen	3	657	April 25, 2024

Resources related to pymatgen and previous discussions

In addition to this forum, resources related to pymatgen can be found at: pymatgen.org for official documentation matgenb for example Jupyter notebooks GitHub issues for bug reports and known issues prior to this fo…