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