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Qull wide merge error
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0
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88
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August 26, 2024
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Do I need to divide the numpy array myself in order to obtain the charge density in units 1/Å^3?
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2
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75
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August 20, 2024
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Understanding weights of SpaceGroupAnalyzer.get_ir_reciprocal_mesh()
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0
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54
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August 15, 2024
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Installation of MPInterfaces
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1
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53
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August 12, 2024
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MagneticStructureEnumerator - enumerating all possible magnetic spin configurations
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1
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55
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August 12, 2024
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To solve the error: "TypeError: 'CompoundPhaseDiagram' object is not iterable"
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8
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929
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July 21, 2024
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How to calculate the minial coincident interface area (MCIA) using pymatgen's SubstrateAnalyzer?
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0
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166
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July 18, 2024
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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?
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3
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178
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June 23, 2024
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How to fetch the single-layer structure from the MP database through the code
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0
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71
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June 18, 2024
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Pymatgen File Extension Issue
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2
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351
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June 17, 2024
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Ask about-Chemenv
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0
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91
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June 16, 2024
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Getting NELECT parameter from the queried DOS
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2
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191
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June 10, 2024
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How to redefine lattice by pymatgen
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2
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550
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May 22, 2024
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How to understand the parameter of "reference_species" in VanHoveAnalysis class?
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0
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108
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May 21, 2024
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Pymatgen attribute error: specie
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3
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852
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April 25, 2024
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Complex Pourbaix Diagrams
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1
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185
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April 24, 2024
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Error in getting bandstructure by material id through pymatgen
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7
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656
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April 18, 2024
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About convert elastic tensor to IEEE-standard
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0
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122
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April 17, 2024
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Question for calculating the Energy above hull
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6
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1172
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April 11, 2024
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Pymatgen structure matcher import error
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1
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515
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April 9, 2024
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Controlling which side of slab the vacuum is on
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1
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246
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April 8, 2024
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Averaged XAS spectrum using site_weighted_spectrum in pymatgen.analysis.xas?
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0
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145
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March 7, 2024
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Unit of atomic_orbitals energy
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3
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261
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March 30, 2024
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Error during postprocessing of entries for phase diagrams using PYMATGEN
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0
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235
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March 26, 2024
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How to load lammps results to pymatgen?
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0
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215
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March 26, 2024
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How to load LAMMPS output ot pymatgen?
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0
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274
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March 25, 2024
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Crystaltoolkit installation problems
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2
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637
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March 22, 2024
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How to implement atat to pymatgen
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1
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551
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March 20, 2024
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How to Scrape all perovskite (ABO3) type information from materials project api?
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4
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401
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March 18, 2024
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How to get Bond valence Vector Sum (BVVS) for each sites of Perovskite material?
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0
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175
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March 5, 2024
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