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Egrad
Started by Pandiselvi |
2 Replies
1158 Views |
![]() by Pingping |
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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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How to switch off the XC kernel?
Started by JohnZhou_case |
0 Replies
633 Views |
![]() by JohnZhou_case |
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cdspectrum file content
Started by martijn |
1 Replies
653 Views |
![]() by Arnim |
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4 Replies
1474 Views |
![]() by martijn |
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TDDFT Transition Dipole Reference
Started by robagl9695 |
2 Replies
1135 Views |
![]() by robagl9695 |
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1 Replies
981 Views |
![]() by chris.hol |
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5 Replies
1351 Views |
![]() by chris.hol |
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qsGW vs evGW convergence
Started by martijn |
2 Replies
1173 Views |
![]() by martijn |
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evGW issues
Started by martijn |
6 Replies
2312 Views |
![]() by martijn |
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Analysis of BSE excitations
Started by martijn |
3 Replies
1539 Views |
![]() by martijn |
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escf for open-shell
Started by cdicker2 |
2 Replies
1589 Views |
![]() by cdicker2 |
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BSE excitation calculations
Started by martijn |
3 Replies
1562 Views |
![]() by chris.hol |
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rigw_contour vs rigw vs GW
Started by martijn |
5 Replies
1970 Views |
![]() by chris.hol |
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Egrad with TPSSH-functional
Started by fkreu |
1 Replies
1613 Views |
![]() by Arnim |
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TDDFT with B97-3c
Started by luyj |
0 Replies
1699 Views |
![]() by luyj |
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TD DFT - excited state natural orbitals
Started by qadir |
5 Replies
8854 Views |
![]() by finrod |
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1 Replies
3773 Views |
![]() by finrod |
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0 Replies
3031 Views |
![]() by rvaliev |
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gradient evaluation error
Started by wasif |
0 Replies
3522 Views |
![]() by wasif |
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