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1 Replies
5015 Views |
![]() by antti_karttunen |
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TDDFT calculations using b3-lyp functional
Started by golden |
1 Replies
6627 Views |
![]() by Christof |
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Abnormal termination of egrad
Started by jakob |
1 Replies
5089 Views |
![]() by uwe |
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Escf for 2c- (spin-orbit) SCF/DFT
Started by JakubV |
3 Replies
223 Views |
![]() by chris.hol |
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TDDFT cosmo
Started by jbaltrus |
0 Replies
4516 Views |
![]() by jbaltrus |
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twoint empty
Started by jbaltrus |
0 Replies
3988 Views |
![]() by jbaltrus |
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problems with S1 optimization
Started by jc3 |
1 Replies
6368 Views |
![]() by Arnim |
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EGRAD and NBO
Started by jchackett |
1 Replies
5514 Views |
![]() by Arnim |
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2 Replies
5646 Views |
![]() by Jerry |
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How to switch off the XC kernel?
Started by JohnZhou_case |
0 Replies
633 Views |
![]() by JohnZhou_case |
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1 Replies
5870 Views |
![]() by christof.haettig |
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0 Replies
4722 Views |
![]() by kmlin |
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Strange excitations while using desy
Started by Kwiatkowski |
1 Replies
4564 Views |
![]() by christof.haettig |
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0 Replies
4758 Views |
![]() by Leprechaum |
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1 Replies
4707 Views |
![]() by christof.haettig |
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1 Replies
8797 Views |
![]() by dimi |
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singlet excitation
Started by lsikk |
4 Replies
9178 Views |
![]() by lsikk |
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exited state polarizability
Started by lsikk |
2 Replies
8169 Views |
![]() by christof.haettig |
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TDDFT with B97-3c
Started by luyj |
0 Replies
1698 Views |
![]() by luyj |
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Subsequent Escf runs - How to?
Started by marcen |
0 Replies
3326 Views |
![]() by marcen |
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