Difference between get_primitive_cell and get_reduced_cell
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0
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47
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March 22, 2022
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Plotting band structure with a metagga (hybrid style) KPOINTS file
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1
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63
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March 22, 2022
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Pourbaix_diagram module: Energy and nPhi vs nH2O in a PourbaixEntry
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6
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91
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March 22, 2022
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Reading VASP CONTCAR/POSCAR
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2
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80
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March 9, 2022
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Create a Hydrogen terminated surface
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0
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79
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March 8, 2022
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Site projected BS from BoltzTrap
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0
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48
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March 5, 2022
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Build Fe-graphene interface using InterfaceBuilder
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18
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1001
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March 4, 2022
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Return a unique oxidation state according to some criterion
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0
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70
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February 22, 2022
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Error with get_element_profile
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1
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73
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February 21, 2022
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Voronoi volumes of all atoms in structure
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1
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153
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February 19, 2022
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Question about generate symmetric slab
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5
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318
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February 18, 2022
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Problems in calculating the reaction energy between different compounds
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5
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118
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February 16, 2022
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MPRestError: HTTPSConnectionPool
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0
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98
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February 15, 2022
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Force and velocities from vasprun.xml
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2
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82
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February 16, 2022
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Maintain species order of POSCAR thru primitive conversion
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0
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55
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February 15, 2022
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AttributeError: module 'pymatgen' has no attribute 'Element'
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4
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247
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February 4, 2022
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To solve the error: "TypeError: 'CompoundPhaseDiagram' object is not iterable"
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2
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88
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February 5, 2022
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Finding Symmetry Equivalent Bonds (neighbors)
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3
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222
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February 4, 2022
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Unique adsorption site finder
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0
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61
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February 3, 2022
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How to determine the crystallographic orientation of a generated slab
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0
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86
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February 1, 2022
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Pourbaix entry name
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0
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48
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January 27, 2022
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Is it possible to adsorb another molecule around the adsorbed molecule?
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0
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56
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January 27, 2022
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Drift correction and framework ions in DiffusionAnalyzer
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0
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60
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January 25, 2022
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Chemical system criteria for elements in an argument that does not allow for criteria do be applied
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2
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105
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January 21, 2022
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Apple silicon support for pymatgen
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3
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120
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January 20, 2022
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Compare two structure with different atom order
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3
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163
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January 19, 2022
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Pymatgen-diffusion release request
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4
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261
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January 16, 2022
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Creating Interstitial Defect with InterstitialGenerator
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7
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211
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January 10, 2022
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How to define complex defect
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4
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388
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January 10, 2022
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Unknown Potcar Warning
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6
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208
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January 4, 2022
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