|
DFPT+U doesnt work for q != Gamma
|
|
12
|
387
|
May 10, 2024
|
|
Resuming calculation after stopping
|
|
1
|
216
|
March 18, 2024
|
|
PAW calculation in EPH
|
|
2
|
128
|
January 22, 2024
|
|
Phonon eigenvectors at just one q-point
|
|
1
|
158
|
December 10, 2023
|
|
Restart from previous DFPT calculations
|
|
1
|
259
|
November 14, 2023
|
|
DFPT calculations , wave-functions dont converge
|
|
6
|
359
|
November 12, 2023
|
|
Temperature-dependent Fermi level in EPH code
|
|
4
|
142
|
November 7, 2023
|
|
DFTP NLO tutorial broken
|
|
1
|
173
|
November 5, 2023
|
|
Crash while calculating non-linear optical response
|
|
9
|
321
|
October 4, 2023
|
|
NLO tutorial broken
|
|
16
|
386
|
October 3, 2023
|
|
Crash with DFPT chi2 calculation
|
|
1
|
183
|
September 25, 2023
|
|
Finite difference non-linear susceptibility gives zero
|
|
3
|
251
|
September 25, 2023
|
|
Getshell: BUG - The calculated weights do not solve the linear system for all k-points
|
|
2
|
163
|
September 4, 2023
|
|
Crash with PEAD NLO calculation
|
|
0
|
155
|
August 28, 2023
|
|
Piezoelectric tensor
|
|
15
|
535
|
July 29, 2023
|
|
Non-linear susceptibility
|
|
0
|
202
|
July 28, 2023
|
|
Need lifetimes in electron-phonon tutorial for BoltzTraP2 code
|
|
0
|
227
|
July 19, 2023
|
|
ASR violation in AlAs fermi smearing
|
|
2
|
1278
|
July 13, 2021
|
|
Phonon energies in abinit output file are zero for all modes at all qpts, but energies in annaddb calculation from DDB file are normal
|
|
3
|
230
|
June 29, 2023
|
|
Large value of elastic constant c33
|
|
6
|
331
|
June 29, 2023
|
|
Static non-linear properties
|
|
1
|
310
|
June 27, 2023
|
|
Degeneracy problem in response calculation
|
|
3
|
238
|
June 16, 2023
|
|
Very low frequency optical response calculation
|
|
4
|
219
|
June 14, 2023
|
|
Pockels calculation using anaddb
|
|
0
|
348
|
May 23, 2023
|
|
Calculating the q resolved Eliashberg function
|
|
3
|
310
|
May 2, 2023
|
|
Phonon frequencies change with nband for insulating
|
|
1
|
260
|
April 11, 2023
|
|
EPH Task 11 netCDF error
|
|
10
|
570
|
March 13, 2023
|
|
hBN phonons, no LO-TO splitting
|
|
3
|
648
|
February 10, 2023
|
|
DFPT + quasi-Fermi level method (occopt 9)
|
|
3
|
358
|
February 1, 2023
|
|
EPH codes yield different results
|
|
4
|
371
|
January 18, 2023
|