|
Restarting a calculation on exciting
|
|
8
|
670
|
October 30, 2022
|
|
BSE-XAS calculation crashes
|
|
14
|
559
|
October 19, 2022
|
|
Python Scripts Not Working
|
|
3
|
465
|
September 21, 2022
|
|
Band structure calculation in Fully Relativistic systems using HSE06
|
|
1
|
391
|
September 7, 2022
|
|
Spacegroup Trouble
|
|
1
|
310
|
September 6, 2022
|
|
What's the eigval difference in the 'EIGVAL_RTTDDFT.OUT' and 'EIGVAL_0.OUT'?
|
|
1
|
322
|
July 28, 2022
|
|
Calculate work function
|
|
1
|
387
|
July 24, 2022
|
|
Sh: ElaStic_Setup_ESPRESSO: command not found
|
|
2
|
392
|
July 22, 2022
|
|
GW/BSE calculation of spin-polarized system?
|
|
0
|
421
|
July 7, 2022
|
|
Calculate momentum matrix element
|
|
1
|
504
|
June 15, 2022
|
|
Can excitons at different K points be computed?
|
|
6
|
533
|
June 15, 2022
|
|
Electronic density output files from the superposition of free atoms
|
|
0
|
344
|
June 10, 2022
|
|
How to get each occupation number of KS state in rt-TDDFT?
|
|
6
|
435
|
May 23, 2022
|
|
Excitingtools. exciting's Python package
|
|
1
|
477
|
May 17, 2022
|
|
Magneto-Optical Kerr Effect
|
|
0
|
362
|
May 17, 2022
|
|
Segmentation fault (core dumped) in GW calculations
|
|
1
|
323
|
May 2, 2022
|
|
How to calculate the wanniergap?
|
|
7
|
638
|
April 25, 2022
|
|
Error in calculating monolayer VS2 band structure
|
|
2
|
397
|
April 22, 2022
|
|
Can i use '/input/xs/scrwfplot' to get wavefunction-plot file in 'rt-TTDFT' calculation?
|
|
2
|
547
|
March 16, 2022
|
|
Fst/lst keys in spin-polarized Wannier calculation
|
|
2
|
841
|
March 11, 2022
|
|
Issue with libxc and vaccum
|
|
5
|
533
|
March 8, 2022
|
|
Doing BSE on top up GW
|
|
5
|
916
|
March 8, 2022
|
|
Plotting lm-resolved PDOS
|
|
8
|
1247
|
March 7, 2022
|
|
Linearisation energy not found
|
|
14
|
965
|
March 3, 2022
|
|
Error(fxc_bse_ma03): LFE size of file too large
|
|
0
|
281
|
March 3, 2022
|
|
Plasma frequency for exciting
|
|
2
|
528
|
February 14, 2022
|
|
Getting wrong Bulk modulus for ZnO using Elastic and quantum espresso
|
|
2
|
1174
|
February 3, 2022
|
|
Interpreting "l,m" values in PDOS
|
|
4
|
605
|
February 1, 2022
|
|
K-path symmetry
|
|
1
|
399
|
January 30, 2022
|
|
Plot atom type contribution on band structure
|
|
0
|
318
|
January 30, 2022
|