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Band structure plot distance doesn't agree with BZ plot
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2
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173
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January 21, 2021
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Understanding weights in analysis.local_env classes voronoiNN and crystallNN
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1
|
111
|
January 21, 2021
|
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Finding Bond Length and Bond Angles in a composition
|
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4
|
131
|
January 5, 2021
|
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How to use pymatgen to generate the potential energy surface of NEB calculation?
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0
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87
|
December 28, 2020
|
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Kppvol, kppa, reciprocal_density and pra
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0
|
63
|
December 23, 2020
|
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Create surface by using non-conventional surface vectors
|
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5
|
126
|
December 16, 2020
|
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Is AdsorbateSiteFinder dependent on the chosen unit cell
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2
|
157
|
December 2, 2020
|
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Reading Errors and Warnings from VASP calculations
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1
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116
|
November 30, 2020
|
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Adding Defect into Bulk Metal
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1
|
101
|
November 30, 2020
|
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POTCAR Warning msg
|
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1
|
281
|
November 30, 2020
|
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Surface slab visualization: Key Error 'O2-'
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2
|
105
|
November 30, 2020
|
|
Extract data for band structure along with high-symmetry direction
|
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2
|
140
|
November 25, 2020
|
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Rotating DOS projection axes
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2
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134
|
October 13, 2020
|
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Pymatgen-diffusion release request
|
|
1
|
108
|
October 8, 2020
|
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Calculation of critical chemical potentials
|
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8
|
161
|
October 8, 2020
|
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Which one is the correct "site_index"?
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4
|
112
|
September 8, 2020
|
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Grand Potential Phase diagrams and interfacial reactivities
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0
|
126
|
August 31, 2020
|
|
Get site IDs of specific species
|
|
2
|
114
|
August 30, 2020
|
|
'str' object has no fractional atribute 'fractional_composition'
|
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1
|
116
|
August 27, 2020
|
|
Extract data for particular structure
|
|
12
|
269
|
August 27, 2020
|
|
How to get the charge of an inorganic compound
|
|
3
|
118
|
August 25, 2020
|
|
Does PyMatGen have a Autocorrelation function
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2
|
146
|
August 13, 2020
|
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Defect band shifting correction
|
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1
|
125
|
August 13, 2020
|
|
How pbc_diff works
|
|
10
|
352
|
August 11, 2020
|
|
Pbx_diagram.get_pourbaix_domains not consistent with PourbaixPlotter diagram
|
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0
|
129
|
August 6, 2020
|
|
Getting structure using material id in for loop not
|
|
9
|
224
|
August 4, 2020
|
|
Inconsistency in determining convex hull with PDPlotter?
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1
|
314
|
August 3, 2020
|
|
How to generate vacancy structure and calculate formation energy
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1
|
230
|
August 2, 2020
|
|
Creating a eutectic strucutre
|
|
4
|
118
|
July 30, 2020
|
|
How to use AdsorptionSiteFinder.add_adsorbate to add an adsorbate at multiple locations?
|
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1
|
170
|
July 30, 2020
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