|
Momentum matrix elements
|
|
2
|
368
|
November 14, 2022
|
|
Restarting a calculation on exciting
|
|
8
|
576
|
October 30, 2022
|
|
BSE-XAS calculation crashes
|
|
14
|
470
|
October 19, 2022
|
|
Python Scripts Not Working
|
|
3
|
366
|
September 21, 2022
|
|
Band structure calculation in Fully Relativistic systems using HSE06
|
|
1
|
333
|
September 7, 2022
|
|
Spacegroup Trouble
|
|
1
|
273
|
September 6, 2022
|
|
What's the eigval difference in the 'EIGVAL_RTTDDFT.OUT' and 'EIGVAL_0.OUT'?
|
|
1
|
277
|
July 28, 2022
|
|
Calculate work function
|
|
1
|
334
|
July 24, 2022
|
|
Sh: ElaStic_Setup_ESPRESSO: command not found
|
|
2
|
343
|
July 22, 2022
|
|
GW/BSE calculation of spin-polarized system?
|
|
0
|
366
|
July 7, 2022
|
|
Is Meta GGA implemeted in exciting-oxygen?
|
|
1
|
287
|
June 26, 2022
|
|
Calculate momentum matrix element
|
|
1
|
448
|
June 15, 2022
|
|
Can excitons at different K points be computed?
|
|
6
|
459
|
June 15, 2022
|
|
Electronic density output files from the superposition of free atoms
|
|
0
|
309
|
June 10, 2022
|
|
How to get each occupation number of KS state in rt-TDDFT?
|
|
6
|
327
|
May 23, 2022
|
|
Excitingtools. exciting's Python package
|
|
1
|
443
|
May 17, 2022
|
|
Magneto-Optical Kerr Effect
|
|
0
|
297
|
May 17, 2022
|
|
Segmentation fault (core dumped) in GW calculations
|
|
1
|
288
|
May 2, 2022
|
|
How to calculate the wanniergap?
|
|
7
|
580
|
April 25, 2022
|
|
Error in calculating monolayer VS2 band structure
|
|
2
|
349
|
April 22, 2022
|
|
Can i use '/input/xs/scrwfplot' to get wavefunction-plot file in 'rt-TTDFT' calculation?
|
|
2
|
506
|
March 16, 2022
|
|
Fst/lst keys in spin-polarized Wannier calculation
|
|
2
|
748
|
March 11, 2022
|
|
Issue with libxc and vaccum
|
|
5
|
467
|
March 8, 2022
|
|
Doing BSE on top up GW
|
|
5
|
739
|
March 8, 2022
|
|
Plotting lm-resolved PDOS
|
|
8
|
1036
|
March 7, 2022
|
|
Linearisation energy not found
|
|
14
|
801
|
March 3, 2022
|
|
Error(fxc_bse_ma03): LFE size of file too large
|
|
0
|
248
|
March 3, 2022
|
|
Plasma frequency for exciting
|
|
2
|
467
|
February 14, 2022
|
|
Getting wrong Bulk modulus for ZnO using Elastic and quantum espresso
|
|
2
|
950
|
February 3, 2022
|
|
Interpreting "l,m" values in PDOS
|
|
4
|
545
|
February 1, 2022
|