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Plotting phonon band structure of orthorhombic crystal
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2
|
564
|
November 11, 2022
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Compute transport coefficients
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0
|
341
|
November 3, 2022
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ModuleNotFoundError: No module named 'ase.build'; 'ase' is not a package
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2
|
1662
|
October 17, 2022
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Ase.optimize with BFGS for a collection of molecules
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2
|
718
|
September 16, 2022
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Run DFT+U calculations in CP2K with ASE
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1
|
817
|
September 15, 2022
|
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ASE test fail after installation
|
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0
|
392
|
September 12, 2022
|
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Failed test report
|
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1
|
459
|
August 13, 2022
|
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Transform unit cell to orthogonal cell
|
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1
|
1293
|
July 28, 2022
|
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How to to dope in a structure?
|
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1
|
469
|
July 1, 2022
|
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LAMMPS calculator failed to perform structual optimization in ASE
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0
|
526
|
June 27, 2022
|
|
Lattice constant of Ag using GPAW
|
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2
|
906
|
June 24, 2022
|
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Visualizing Phonon modes
|
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0
|
364
|
May 18, 2022
|
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Unable to read OUTCAR from vasp calculation using ase.io.read?
|
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0
|
1096
|
May 8, 2022
|
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Errors in ASE
|
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0
|
516
|
April 27, 2022
|
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How to load structures including Deuterium with ASE
|
|
1
|
661
|
April 27, 2022
|
|
How to address the output of QE+ASE run as a database?
|
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0
|
393
|
April 13, 2022
|
|
How to convert primitive cell to conventional cell?
|
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3
|
3826
|
April 12, 2022
|
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Cube file save problem
|
|
3
|
413
|
April 11, 2022
|
|
How to pass QE amorphous structure to ASE
|
|
1
|
417
|
April 11, 2022
|
|
Ase installation test error
|
|
1
|
860
|
April 11, 2022
|
|
Width in DOS
|
|
1
|
477
|
April 11, 2022
|
|
Can ASE write png images with cross mark on the fixed atoms just as shown in the ase gui?
|
|
1
|
557
|
March 8, 2022
|
|
GPAW atoms limit
|
|
1
|
420
|
February 21, 2022
|
|
ASE Calculators for DFT Codes with spin constraints (e.g. SPHInX)
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|
0
|
378
|
February 9, 2022
|
|
Converting units
|
|
1
|
863
|
January 27, 2022
|
|
ASE reading and writing POSCAR with selective dynamics
|
|
0
|
1900
|
January 15, 2022
|
|
TypeError: __init__() got multiple values for argument 'atoms'
|
|
1
|
1684
|
January 14, 2022
|
|
What is the velocity unit for atoms object?
|
|
2
|
1579
|
January 11, 2022
|
|
Going from MEP to ASE-NEB
|
|
0
|
526
|
January 9, 2022
|
|
What is the principle of generating INCAR tags in ASE?
|
|
0
|
346
|
January 5, 2022
|