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	2555	November 8, 2019
About the pymatgen category pymatgen	0	794	October 30, 2019
How to use Pymatgen to draw a band structure projection diagram based on the number of atoms? pymatgen	3	12	December 21, 2024
How redefine the lattice orientation by pymatgen? pymatgen pymatgen	2	17	December 14, 2024
Pymatgen-analysis-defects.utils package and get_ipr_in_window pymatgen	1	12	December 14, 2024
Handling Fractional Occupancy in CIF to POSCAR Conversion pymatgen pymatgen	3	448	December 12, 2024
Blank output in Jupyter produced by Crystal Toolkit pymatgen	0	4	December 5, 2024
Generate equivalent positions like it appears in vesta pymatgen howto	1	16	November 18, 2024
Help with switching axes pymatgen	2	885	November 18, 2024
Highlight entry in the pdplotter pymatgen	0	6	November 8, 2024
Issue i'm facing in installlation doped POTCAR files in Windows pymatgen	3	14	November 4, 2024
Ehull of layered oxides pymatgen pymatgen	1	10	November 3, 2024
Transform the elastic tensor for the primitive cell of Si to the corresponding elastic tensor in the conventional cell pymatgen pymatgen	1	16	October 30, 2024
Grain Boundary generation in LiNiO2 R3m structure along [-1-120] axis pymatgen-diffusion	0	9	October 18, 2024
Different surface structures from pymatgen and ASE pymatgen ase , pymatgen , howto	0	46	October 13, 2024
Pourbaix Diagram -Tempurature Adjustment pymatgen howto	2	78	October 11, 2024
Pymatgen writing strucutre with calculated anisotropic displacement parameters pymatgen	0	17	September 26, 2024
Triclinic unit cell to cubic unit cell transformation pymatgen howto , pymatgen	2	121	September 19, 2024
CPU and GPU performance in VASP compilation pymatgen	2	135	September 19, 2024
Regarding band gap for different spin pymatgen	0	4	September 18, 2024
Value Error: Buffer dtype mismatch, expected 'cost int64_t' but got 'long' pymatgen	0	91	September 18, 2024
How we project trigonal unit cell to specific plane [210] in hexagonal structure pymatgen	0	6	September 10, 2024
How can I know if an entry from the mp-api is stable around room temperature? pymatgen howto , materials-project	2	28	September 10, 2024
Regarding Band gap from DOSCAR or Vasprun.xml pymatgen	5	56	September 8, 2024
How can you get_ieee_rotation without calculating the piezoelectric constants? pymatgen materials-project	0	13	September 7, 2024
The dos is not match with the band pymatgen	0	6	September 7, 2024
Ni Pourbaix Diagrams Inconsistent with Literature pymatgen	1	49	August 31, 2024
How to increase the Li content in candidate materials pymatgen	0	10	August 31, 2024
Problem with finding band structures of the crystal pymatgen custodian , pymatgen , materials-project	0	25	August 28, 2024
Qull wide merge error pymatgen error	0	25	August 26, 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…