Subject / Started by | Replies / Views | Last post ![]() |
||
---|---|---|---|---|
![]() |
![]() |
How to switch off the XC kernel?
Started by JohnZhou_case |
0 Replies
75 Views |
![]() by JohnZhou_case |
![]() |
![]() |
cdspectrum file content
Started by martijn |
1 Replies
199 Views |
![]() by Arnim |
![]() |
![]() |
4 Replies
841 Views |
![]() by martijn |
|
![]() |
![]() |
Egrad
Started by Pandiselvi |
1 Replies
532 Views |
![]() by uwe |
![]() |
![]() |
TDDFT Transition Dipole Reference
Started by robagl9695 |
2 Replies
654 Views |
![]() by robagl9695 |
![]() |
![]() |
1 Replies
534 Views |
![]() by chris.hol |
|
![]() |
![]() |
5 Replies
765 Views |
![]() by chris.hol |
|
![]() |
![]() |
qsGW vs evGW convergence
Started by martijn |
2 Replies
704 Views |
![]() by martijn |
![]() |
![]() |
evGW issues
Started by martijn |
6 Replies
1756 Views |
![]() by martijn |
![]() |
![]() |
Analysis of BSE excitations
Started by martijn |
3 Replies
1046 Views |
![]() by martijn |
![]() |
![]() |
escf for open-shell
Started by cdicker2 |
2 Replies
1115 Views |
![]() by cdicker2 |
![]() |
![]() |
BSE excitation calculations
Started by martijn |
3 Replies
1095 Views |
![]() by chris.hol |
![]() |
![]() |
rigw_contour vs rigw vs GW
Started by martijn |
5 Replies
1440 Views |
![]() by chris.hol |
![]() |
![]() |
Egrad with TPSSH-functional
Started by fkreu |
1 Replies
1092 Views |
![]() by Arnim |
![]() |
![]() |
TDDFT with B97-3c
Started by luyj |
0 Replies
1246 Views |
![]() by luyj |
![]() |
![]() |
TD DFT - excited state natural orbitals
Started by qadir |
5 Replies
8202 Views |
![]() by finrod |
![]() |
![]() |
1 Replies
3248 Views |
![]() by finrod |
|
![]() |
![]() |
0 Replies
2600 Views |
![]() by rvaliev |
|
![]() |
![]() |
gradient evaluation error
Started by wasif |
0 Replies
3137 Views |
![]() by wasif |
![]() |
![]() |
Subsequent Escf runs - How to?
Started by marcen |
0 Replies
2947 Views |
![]() by marcen |
Normal Topic
Hot Topic (More than 15 replies)
Very Hot Topic (More than 25 replies)
Locked Topic
Sticky Topic