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Visualizing Phonon modes
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0
|
327
|
May 18, 2022
|
|
Unable to read OUTCAR from vasp calculation using ase.io.read?
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0
|
963
|
May 8, 2022
|
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Errors in ASE
|
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0
|
448
|
April 27, 2022
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How to load structures including Deuterium with ASE
|
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1
|
545
|
April 27, 2022
|
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How to address the output of QE+ASE run as a database?
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0
|
363
|
April 13, 2022
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How to convert primitive cell to conventional cell?
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3
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2863
|
April 12, 2022
|
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Cube file save problem
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3
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345
|
April 11, 2022
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How to pass QE amorphous structure to ASE
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1
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374
|
April 11, 2022
|
|
Ase installation test error
|
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1
|
774
|
April 11, 2022
|
|
Width in DOS
|
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1
|
429
|
April 11, 2022
|
|
Can ASE write png images with cross mark on the fixed atoms just as shown in the ase gui?
|
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1
|
497
|
March 8, 2022
|
|
GPAW atoms limit
|
|
1
|
354
|
February 21, 2022
|
|
ASE Calculators for DFT Codes with spin constraints (e.g. SPHInX)
|
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0
|
342
|
February 9, 2022
|
|
Converting units
|
|
1
|
685
|
January 27, 2022
|
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ASE reading and writing POSCAR with selective dynamics
|
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0
|
1563
|
January 15, 2022
|
|
TypeError: __init__() got multiple values for argument 'atoms'
|
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1
|
1541
|
January 14, 2022
|
|
What is the velocity unit for atoms object?
|
|
2
|
1199
|
January 11, 2022
|
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Going from MEP to ASE-NEB
|
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0
|
444
|
January 9, 2022
|
|
What is the principle of generating INCAR tags in ASE?
|
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0
|
303
|
January 5, 2022
|
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Why the "ase.io.read()" doesn't work?
|
|
3
|
1709
|
December 28, 2021
|
|
C++ library like ASE
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2
|
655
|
November 26, 2021
|
|
Quasi Newton optimisation
|
|
1
|
281
|
November 13, 2021
|
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Suggestions for atoms.set_angle() method
|
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3
|
431
|
November 13, 2021
|
|
How to change the chirality of an Atoms object in ase?
|
|
2
|
527
|
November 3, 2021
|
|
Directory tag in vasp calculator, ase.3.20.1
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|
1
|
318
|
October 30, 2021
|
|
Reading DFT input settings from older run?
|
|
0
|
230
|
October 21, 2021
|
|
How to run .traj file inside python?
|
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2
|
400
|
September 24, 2021
|
|
How to set pomass for different elements in calc.set()?
|
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1
|
572
|
September 16, 2021
|
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The meaning of force call in BFGSLinearsearch method
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2
|
465
|
September 16, 2021
|
|
Using a molecule not specified in g2 collection neither in Pubchem database
|
|
1
|
339
|
September 15, 2021
|