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	2497	November 8, 2019
About the pymatgen category pymatgen	0	780	October 30, 2019
Pourbaix Diagram -Tempurature Adjustment pymatgen howto	1	31	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	82	June 23, 2024
Triclinic unit cell to cubic unit cell transformation pymatgen howto , pymatgen	1	62	June 20, 2024
How to fetch the single-layer structure from the MP database through the code pymatgen	0	33	June 18, 2024
Pymatgen File Extension Issue pymatgen	2	51	June 17, 2024
Ask about-Chemenv pymatgen pymatgen	0	45	June 16, 2024
Getting NELECT parameter from the queried DOS pymatgen pymatgen	2	70	June 10, 2024
How to redefine lattice by pymatgen pymatgen	2	116	May 22, 2024
How to understand the parameter of "reference_species" in VanHoveAnalysis class? pymatgen	0	78	May 21, 2024
Handling Fractional Occupancy in CIF to POSCAR Conversion pymatgen pymatgen	2	226	May 8, 2024
Pymatgen attribute error: specie pymatgen	3	616	April 25, 2024
Complex Pourbaix Diagrams pymatgen	1	124	April 24, 2024
Error in getting bandstructure by material id through pymatgen pymatgen	7	577	April 18, 2024
About convert elastic tensor to IEEE-standard pymatgen	0	97	April 17, 2024
Question for calculating the Energy above hull pymatgen	6	1018	April 11, 2024
Pymatgen structure matcher import error pymatgen	1	178	April 9, 2024
Controlling which side of slab the vacuum is on pymatgen materials-project , howto , pymatgen	1	127	April 8, 2024
Averaged XAS spectrum using site_weighted_spectrum in pymatgen.analysis.xas? pymatgen pymatgen	0	114	March 7, 2024
Unit of atomic_orbitals energy pymatgen	3	176	March 30, 2024
Error during postprocessing of entries for phase diagrams using PYMATGEN pymatgen pymatgen , error	0	208	March 26, 2024
How to load lammps results to pymatgen? pymatgen pymatgen	0	139	March 26, 2024
How to load LAMMPS output ot pymatgen? pymatgen pymatgen , howto , lammps	0	173	March 25, 2024
Crystaltoolkit installation problems pymatgen	2	460	March 22, 2024
How to implement atat to pymatgen pymatgen pymatgen , howto	1	475	March 20, 2024
How to Scrape all perovskite (ABO3) type information from materials project api? pymatgen pymatgen	4	280	March 18, 2024
How to get Bond valence Vector Sum (BVVS) for each sites of Perovskite material? pymatgen howto , matminer , materials-project	0	132	March 5, 2024
Rroblem ： How to better view the crystal structure pymatgen	0	133	March 2, 2024
How do I use pymatgen in python to visualize.cif files pymatgen	7	476	March 2, 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…