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Egrad with TPSSH-functional
Started by fkreu |
1 Replies
4580 Views |
![]() by Arnim |
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TDDFT with B97-3c
Started by luyj |
0 Replies
3843 Views |
![]() by luyj |
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TD DFT - excited state natural orbitals
Started by qadir |
5 Replies
10954 Views |
![]() by finrod |
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1 Replies
5578 Views |
![]() by finrod |
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0 Replies
4616 Views |
![]() by rvaliev |
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gradient evaluation error
Started by wasif |
0 Replies
5068 Views |
![]() by wasif |
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Subsequent Escf runs - How to?
Started by marcen |
0 Replies
4853 Views |
![]() by marcen |
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Symmetry of excited states
Started by dcav |
0 Replies
5090 Views |
![]() by dcav |
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Temperature of Raman scatt. cross sections
Started by Punix |
0 Replies
5244 Views |
![]() by Punix |
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0 Replies
5713 Views |
![]() by Xiaoyan |
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1 Replies
8678 Views |
![]() by JakubV |
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Abnormal termination of egrad
Started by jakob |
1 Replies
6980 Views |
![]() by uwe |
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TDDFT excited state optimization fails
Started by basklau |
2 Replies
12178 Views |
![]() by JakubV |
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4 Replies
17636 Views |
![]() by JakubV |
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1 Replies
6413 Views |
![]() by christof.haettig |
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3 Replies
8196 Views |
![]() by christof.haettig |
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1 Replies
6434 Views |
![]() by christof.haettig |
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Strange excitations while using desy
Started by Kwiatkowski |
1 Replies
6144 Views |
![]() by christof.haettig |
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0 Replies
6302 Views |
![]() by Leprechaum |
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2 Replies
7336 Views |
![]() by Jerry |
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