|
Controlling which side of slab the vacuum is on
|
|
1
|
46
|
April 8, 2024
|
|
Energy above hull values in materials project
|
|
7
|
2412
|
April 3, 2024
|
|
Averaged XAS spectrum using site_weighted_spectrum in pymatgen.analysis.xas?
|
|
0
|
59
|
March 7, 2024
|
|
Download materials from battery explorer
|
|
9
|
642
|
April 1, 2024
|
|
Error during postprocessing of entries for phase diagrams using PYMATGEN
|
|
0
|
98
|
March 26, 2024
|
|
LOCPOT access in Materiasl Project via API
|
|
1
|
49
|
March 26, 2024
|
|
How to load lammps results to pymatgen?
|
|
0
|
53
|
March 26, 2024
|
|
How to load LAMMPS output ot pymatgen?
|
|
0
|
59
|
March 25, 2024
|
|
How to implement atat to pymatgen
|
|
1
|
408
|
March 20, 2024
|
|
How to Scrape all perovskite (ABO3) type information from materials project api?
|
|
4
|
211
|
March 18, 2024
|
|
Hybridization and DOSFeaturizer of Matminer for an ASE database (C2DB)
|
|
0
|
83
|
March 15, 2024
|
|
Can't reproduce uncorrected_energy_per_atom
|
|
0
|
60
|
March 7, 2024
|
|
Is there potential for the Materials Project Database to provide details on the Wavefunctions for the electronic structure calculations?
|
|
0
|
155
|
October 31, 2023
|
|
Annotations in ternary, 2D PDPlotter
|
|
0
|
70
|
February 21, 2024
|
|
Getting different catalyst structures & atomic positions from website and api (cif, poscar, everything)
|
|
7
|
87
|
February 17, 2024
|
|
Get_structure_by_material_id no longer works for me
|
|
6
|
125
|
February 15, 2024
|
|
MPRester.query shows type error
|
|
2
|
133
|
February 8, 2024
|
|
Bulk Modulus for Multiple Materials via Materials Project API
|
|
2
|
129
|
February 2, 2024
|
|
Grand Potential Phase Diagram Plotting Issue
|
|
0
|
131
|
February 2, 2024
|
|
Adding new, non MP phase to `CompoundPhaseDiagram`
|
|
2
|
192
|
January 26, 2024
|
|
How can I convert dict to 'MPDataDoc' object back?
|
|
3
|
115
|
January 23, 2024
|
|
Pymatgen diffussion analyzer
|
|
0
|
192
|
January 22, 2024
|
|
About error：No Voronoi neighbors found for site - try increasing cutoff
|
|
7
|
145
|
January 20, 2024
|
|
Is there any way we can validate MOF structure with the help of this package?
|
|
0
|
83
|
January 16, 2024
|
|
How to calculate XANES utilizing atomate?
|
|
0
|
77
|
January 11, 2024
|
|
Constructing a Phase Diagram to a new compound
|
|
1
|
104
|
January 10, 2024
|
|
What is the Tolerance Level for Identifying a “Single Layer” in SlabGenerator? Can it Be Modified?
|
|
2
|
133
|
December 19, 2023
|
|
How to calculate the defect formation energy by pymatgen
|
|
1
|
184
|
December 5, 2023
|
|
Non-Equivalent T-Sites from a cif file
|
|
0
|
115
|
December 1, 2023
|
|
REST query returned with error status code 500
|
|
6
|
751
|
November 30, 2023
|