Subject / Started by | Replies / Views | Last post ![]() |
||
---|---|---|---|---|
![]() |
![]() |
TDDFT excited state optimization fails
Started by basklau |
2 Replies
16448 Views |
![]() by JakubV |
![]() |
![]() |
Abnormal termination of egrad
Started by jakob |
1 Replies
10856 Views |
![]() by uwe |
![]() |
![]() |
1 Replies
12391 Views |
![]() by JakubV |
|
![]() |
![]() |
0 Replies
9082 Views |
![]() by Xiaoyan |
|
![]() |
![]() |
Temperature of Raman scatt. cross sections
Started by Punix |
0 Replies
8514 Views |
![]() by Punix |
![]() |
![]() |
Symmetry of excited states
Started by dcav |
0 Replies
8377 Views |
![]() by dcav |
![]() |
![]() |
Subsequent Escf runs - How to?
Started by marcen |
0 Replies
8260 Views |
![]() by marcen |
![]() |
![]() |
gradient evaluation error
Started by wasif |
0 Replies
8417 Views |
![]() by wasif |
![]() |
![]() |
0 Replies
8111 Views |
![]() by rvaliev |
|
![]() |
![]() |
1 Replies
9591 Views |
![]() by finrod |
|
![]() |
![]() |
TD DFT - excited state natural orbitals
Started by qadir |
5 Replies
16801 Views |
![]() by finrod |
![]() |
![]() |
TDDFT with B97-3c
Started by luyj |
0 Replies
7506 Views |
![]() by luyj |
![]() |
![]() |
Egrad with TPSSH-functional
Started by fkreu |
1 Replies
8548 Views |
![]() by Arnim |
![]() |
![]() |
rigw_contour vs rigw vs GW
Started by martijn |
5 Replies
12794 Views |
![]() by chris.hol |
![]() |
![]() |
BSE excitation calculations
Started by martijn |
3 Replies
11243 Views |
![]() by chris.hol |
![]() |
![]() |
escf for open-shell
Started by cdicker2 |
2 Replies
11452 Views |
![]() by cdicker2 |
![]() |
![]() |
Analysis of BSE excitations
Started by martijn |
3 Replies
11968 Views |
![]() by martijn |
![]() |
![]() |
evGW issues
Started by martijn |
6 Replies
14661 Views |
![]() by martijn |
![]() |
![]() |
qsGW vs evGW convergence
Started by martijn |
2 Replies
11187 Views |
![]() by martijn |
![]() |
![]() |
5 Replies
13431 Views |
![]() by chris.hol |
Normal Topic
Hot Topic (More than 15 replies)
Very Hot Topic (More than 25 replies)
Locked Topic
Sticky Topic