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How to calculate scissor operator
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6
|
1274
|
August 4, 2021
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Eigenenergies for core electrons
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4
|
316
|
August 3, 2021
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Density went too small
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6
|
901
|
July 16, 2021
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band structure of Cobalt monolayer
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1
|
431
|
June 28, 2021
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Error in input file
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1
|
860
|
May 7, 2021
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BaTiO3 forces wrong using PAW psp
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0
|
682
|
April 30, 2021
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BUG - rfgd array must be allocated at rfgd(3,nfgd)!
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1
|
1102
|
April 9, 2021
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Comparing pwscf and Abinit MPI SCF calculations
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0
|
735
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March 30, 2021
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Tolerance to allow the computation of the eigenvectors of the SCF cycle for a supercell
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1
|
1421
|
March 29, 2021
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DOS, Hybrids and DEN calculations
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0
|
759
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March 26, 2021
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SCF convergence deteriorates during structural relaxation resulting in crash
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3
|
1151
|
March 21, 2021
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Relaxation of the lattice paramters and atomic positions with NEB method
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0
|
1305
|
March 17, 2021
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Vesta Plot
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1
|
761
|
March 15, 2021
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Band Structure and Fermi Energy Level
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0
|
1229
|
February 10, 2021
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Energy barrier between two crystal polymorphs (NEB)
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0
|
1757
|
January 21, 2021
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Problems related to calculation of momentum distribution of Fe-Cu
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0
|
1451
|
January 19, 2021
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relaxation of fcc bulk lattice results in hcp coordinates
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0
|
1675
|
January 10, 2021
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