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How can i download the chgcar file for multiples mp_ids and convert them into individual npy files?
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5
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57
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July 9, 2024
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Applying a shear force wave input on a box of granular particles during uniform compression
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1
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70
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June 20, 2024
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Help with ERROR: Lost atoms in LAMMPS?
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3
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757
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July 20, 2023
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Issues with bop CdTe
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2
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182
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May 30, 2024
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How to creat Amorphous/Glassy Carbon Structure?
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6
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146
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May 29, 2024
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MP Phase Diagram App -- finite T only works for "R2SCAN only"
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8
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127
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May 15, 2024
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Errors on different section titles when making data file in GUI
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2
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164
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May 5, 2024
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How to let the CNT cool down and plot the correct out-put for temperature versus time?
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0
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93
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April 18, 2024
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Shearing a network
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4
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138
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April 8, 2024
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Controlling which side of slab the vacuum is on
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1
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127
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April 8, 2024
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Download materials from battery explorer
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9
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777
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April 1, 2024
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LOCPOT access in Materiasl Project via API
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1
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128
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March 26, 2024
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Accessing structure documents from materials project
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8
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201
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March 14, 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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132
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March 5, 2024
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Cooling using fix langevin
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1
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134
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March 4, 2024
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Bug with Material Project Query using two wildcards
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2
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143
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March 2, 2024
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Calculating d33 coefficient from Piezoelectric Tensor (eᵢⱼ) and Compliance Tensor (Sᵢⱼ)
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0
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184
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December 5, 2023
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Mp-22584: LiMn2O4 (LMO) structural info mismatch
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0
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202
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November 16, 2023
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Getting different catalyst structures & atomic positions from website and api (cif, poscar, everything)
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8
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174
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May 1, 2024
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Mpr.get_phonon_dos_by_material_id stops working
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1
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174
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February 15, 2024
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Grand Potential Phase Diagram Plotting Issue
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0
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232
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February 2, 2024
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Interface Reactions and Reaction Calculator App results are inconsistent
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11
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269
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January 31, 2024
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Making a local copy of the materials project database
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1
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260
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January 17, 2024
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Accessing catalyst explorer using MPRester
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3
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265
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January 17, 2024
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How to calculate XANES utilizing atomate?
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0
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157
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January 11, 2024
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How to calculate the geometric features using pymatgen or direct zeo++
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0
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177
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January 5, 2024
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I am using an API to retrieve data, but I encountered an error
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4
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151
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January 3, 2024
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MPX3 class of materials erroneously predicted to be ferromagnetic
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1
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180
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December 13, 2023
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Issue with running LAMMPS in serial mode
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3
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292
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December 12, 2023
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Materials studio to lammps data file
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2
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667
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February 23, 2024
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