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TDDFT excited state optimization fails
Started by basklau |
2 Replies
10376 Views |
![]() by JakubV |
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Abnormal termination of egrad
Started by jakob |
1 Replies
5033 Views |
![]() by uwe |
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1 Replies
7170 Views |
![]() by JakubV |
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0 Replies
4160 Views |
![]() by Xiaoyan |
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Temperature of Raman scatt. cross sections
Started by Punix |
0 Replies
3745 Views |
![]() by Punix |
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Symmetry of excited states
Started by dcav |
0 Replies
3542 Views |
![]() by dcav |
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Subsequent Escf runs - How to?
Started by marcen |
0 Replies
3283 Views |
![]() by marcen |
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gradient evaluation error
Started by wasif |
0 Replies
3481 Views |
![]() by wasif |
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0 Replies
2978 Views |
![]() by rvaliev |
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1 Replies
3691 Views |
![]() by finrod |
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TD DFT - excited state natural orbitals
Started by qadir |
5 Replies
8770 Views |
![]() by finrod |
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TDDFT with B97-3c
Started by luyj |
0 Replies
1634 Views |
![]() by luyj |
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Egrad with TPSSH-functional
Started by fkreu |
1 Replies
1552 Views |
![]() by Arnim |
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rigw_contour vs rigw vs GW
Started by martijn |
5 Replies
1914 Views |
![]() by chris.hol |
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BSE excitation calculations
Started by martijn |
3 Replies
1511 Views |
![]() by chris.hol |
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escf for open-shell
Started by cdicker2 |
2 Replies
1527 Views |
![]() by cdicker2 |
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Analysis of BSE excitations
Started by martijn |
3 Replies
1461 Views |
![]() by martijn |
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evGW issues
Started by martijn |
6 Replies
2236 Views |
![]() by martijn |
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qsGW vs evGW convergence
Started by martijn |
2 Replies
1106 Views |
![]() by martijn |
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5 Replies
1271 Views |
![]() by chris.hol |
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