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Phonon pdos
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0
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11
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June 5, 2023
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How to get custom properties from read_lammps_dump_text
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2
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33
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June 1, 2023
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Fmax, DM, calculations time
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1
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40
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May 31, 2023
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Thin out trajectry file
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4
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28
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May 31, 2023
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Setting a different PAW dataset (ASE/GPAW)
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1
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30
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May 17, 2023
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ASE: Implementing VASP's parser for Machine Learning Force Field Calculations
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1
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218
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May 16, 2023
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NPT molecular dynamics in ASE
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0
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39
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May 16, 2023
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Loading VASP state from .json file - vasp.out output
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2
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40
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May 15, 2023
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Raman spectroscopy
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0
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31
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May 11, 2023
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Calculation of defect in bulk of a wafer model
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2
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87
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May 10, 2023
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Putting atoms object in standard form
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4
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93
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May 9, 2023
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Errors in ase test
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3
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275
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May 8, 2023
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Running a MD step using ASE, when passing forces in directly using extended xyz format
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1
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139
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May 8, 2023
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ssNEB in ASE?
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1
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101
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May 8, 2023
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Error in dftpy
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1
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115
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May 8, 2023
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Virial output
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1
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60
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May 8, 2023
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How to parallelize vibration calculation?
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2
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49
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May 5, 2023
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Cif to structure
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1
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96
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April 27, 2023
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OSError: Can't read data (inflate() failed)
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0
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110
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January 24, 2023
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ValueError: One or more NEB images share the same calculator. DFTB calculator
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0
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92
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January 16, 2023
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BFGS optimization with LAMMPS using multiprocessors
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1
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152
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January 13, 2023
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Cell shape during relaxation
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1
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142
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January 13, 2023
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ASE: how to check binding among atoms
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1
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151
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January 13, 2023
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ASE convesion of Trajectory file to XDATCAR
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1
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679
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January 4, 2023
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Lost atom with LAMMPS calculator
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4
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245
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January 4, 2023
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Generating an image of atoms with charges from ase gui?
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2
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131
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December 30, 2022
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Restarting NEB calculations from last positions
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0
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107
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December 13, 2022
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Measuring distance with ASE
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1
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289
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December 4, 2022
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Creating Atoms object from the formula
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2
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134
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November 17, 2022
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Plotting phonon band structure of orthorhombic crystal
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2
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201
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November 11, 2022
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