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1 Replies
2698 Views |
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TDDFT with B97-3c
Started by luyj |
0 Replies
3843 Views |
![]() by luyj |
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Error during GW calculation with symmetry
Started by fbHRO |
0 Replies
4179 Views |
![]() by fbHRO |
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Permanent dipole moment excited states
Started by dpleft |
2 Replies
4376 Views |
![]() by dpleft |
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Modification of revM11
Started by marand |
2 Replies
4391 Views |
![]() by marand |
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-2c cbas auxiliary basis-sets
Started by martijn |
1 Replies
4540 Views |
![]() by yannickf |
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Egrad with TPSSH-functional
Started by fkreu |
1 Replies
4580 Views |
![]() by Arnim |
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0 Replies
4616 Views |
![]() by rvaliev |
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Escf for 2c- (spin-orbit) SCF/DFT
Started by JakubV |
3 Replies
4697 Views |
![]() by chris.hol |
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How to switch off the XC kernel?
Started by JohnZhou_case |
0 Replies
4844 Views |
![]() by JohnZhou_case |
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Subsequent Escf runs - How to?
Started by marcen |
0 Replies
4853 Views |
![]() by marcen |
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cdspectrum file content
Started by martijn |
1 Replies
4940 Views |
![]() by Arnim |
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gradient evaluation error
Started by wasif |
0 Replies
5068 Views |
![]() by wasif |
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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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1 Replies
5317 Views |
![]() by chris.hol |
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egrad density difference (ed.plt)
Started by Helph |
2 Replies
5466 Views |
![]() by Helph |
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qsGW vs evGW convergence
Started by martijn |
2 Replies
5526 Views |
![]() by martijn |
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TDDFT Transition Dipole Reference
Started by robagl9695 |
2 Replies
5537 Views |
![]() by robagl9695 |
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1 Replies
5578 Views |
![]() by finrod |
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