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Optic: use of wfk_task instead of running nscf/ddk calculation
|
|
2
|
175
|
October 6, 2021
|
|
Abipy installation problem
|
|
3
|
132
|
October 6, 2021
|
|
Computing static electro-optic coefficients by GGA+NC
|
|
2
|
154
|
October 5, 2021
|
|
Positron Doppler calculation fails after SCF steps
|
|
5
|
181
|
September 28, 2021
|
|
[SOLVED] APPA post-processing tool
|
|
5
|
249
|
September 21, 2021
|
|
BUG: excited configuration with nqfd not working
|
|
5
|
173
|
September 20, 2021
|
|
Eigendisplacement units
|
|
1
|
167
|
September 16, 2021
|
|
How to calculate refractive index and extinction coefficient
|
|
1
|
341
|
September 15, 2021
|
|
Error dhpev returned info !=0
|
|
5
|
193
|
September 14, 2021
|
|
the fermi-level of metal in the eph_task
|
|
4
|
148
|
September 8, 2021
|
|
What is causing BSE error?
|
|
1
|
135
|
September 7, 2021
|
|
Absorption Spectrum
|
|
1
|
138
|
September 7, 2021
|
|
Optimizing the relaxation convergence time
|
|
2
|
235
|
September 5, 2021
|
|
ASR violation in AlAs fermi smearing
|
|
3
|
1033
|
September 4, 2021
|
|
Overwriting default variables in Input File?
|
|
4
|
167
|
August 18, 2021
|
|
[SOLVED] PAW carbon surface energy calculation diverges
|
|
6
|
263
|
August 17, 2021
|
|
TypeError: ‘NoneType’ object is not subscriptable
|
|
2
|
143
|
August 16, 2021
|
|
Supercell with Europium impurity : Convergence problem
|
|
3
|
1094
|
August 7, 2021
|
|
How to calculate minimum direct band gap
|
|
5
|
185
|
August 4, 2021
|
|
How to calculate scissor operator
|
|
6
|
288
|
August 4, 2021
|
|
Eigenenergies for core electrons
|
|
4
|
149
|
August 3, 2021
|
|
Response function calculation of d/dk wave function with empty states
|
|
3
|
223
|
July 30, 2021
|
|
Phonon calculation about q wavevectors setting
|
|
1
|
1901
|
July 28, 2021
|
|
PAW+DFPT+GGA has unreasonable energy values
|
|
5
|
392
|
July 28, 2021
|
|
Elastic constants of Cr
|
|
2
|
664
|
July 28, 2021
|
|
Nonlinear optic calculation
|
|
1
|
225
|
July 28, 2021
|
|
How to calculate absorption spectrum and photothermal conversion efficiency
|
|
1
|
286
|
July 28, 2021
|
|
TypeError: 'NoneType' object is not subscriptable
|
|
3
|
277
|
July 22, 2021
|
|
GW band-gap calculation
|
|
1
|
112
|
July 22, 2021
|
|
Get the irreducible atomic perturbations numbers
|
|
2
|
115
|
July 17, 2021
|