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Unable to read OUTCAR from vasp calculation using ase.io.read?
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0
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21
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May 8, 2022
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Errors in ASE
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0
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20
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April 27, 2022
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How to load structures including Deuterium with ASE
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1
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22
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April 27, 2022
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How to address the output of QE+ASE run as a database?
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0
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28
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April 13, 2022
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How to convert primitive cell to conventional cell?
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3
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232
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April 12, 2022
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Cube file save problem
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3
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60
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April 11, 2022
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How to pass QE amorphous structure to ASE
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1
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37
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April 11, 2022
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Ase installation test error
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1
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76
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April 11, 2022
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Width in DOS
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1
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68
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April 11, 2022
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Errors in ase test
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1
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46
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April 11, 2022
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Can ASE write png images with cross mark on the fixed atoms just as shown in the ase gui?
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1
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68
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March 8, 2022
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GPAW atoms limit
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1
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72
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February 21, 2022
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ASE Calculators for DFT Codes with spin constraints (e.g. SPHInX)
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0
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59
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February 9, 2022
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Converting units
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1
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71
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January 27, 2022
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ASE reading and writing POSCAR with selective dynamics
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0
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113
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January 15, 2022
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TypeError: __init__() got multiple values for argument 'atoms'
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1
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193
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January 14, 2022
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What is the velocity unit for atoms object?
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2
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125
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January 11, 2022
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Going from MEP to ASE-NEB
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0
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75
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January 9, 2022
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What is the principle of generating INCAR tags in ASE?
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0
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66
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January 5, 2022
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Why the "ase.io.read()" doesn't work?
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3
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199
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December 28, 2021
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How to make JSON serializable to finalize ase-neb calculations using siesta calculator?
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0
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68
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December 18, 2021
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ASE convesion of Trajectory file to XDATCAR
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0
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93
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December 8, 2021
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Core/shell structure construction in ASE
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0
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87
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December 7, 2021
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C++ library like ASE
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2
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165
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November 26, 2021
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Quasi Newton optimisation
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1
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77
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November 13, 2021
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Suggestions for atoms.set_angle() method
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3
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192
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November 13, 2021
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How to change the chirality of an Atoms object in ase?
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2
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107
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November 3, 2021
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Directory tag in vasp calculator, ase.3.20.1
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1
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131
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October 30, 2021
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Reading DFT input settings from older run?
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0
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87
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October 21, 2021
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How to run .traj file inside python?
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2
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158
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September 24, 2021
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