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problems with S1 optimization
Started by jc3 |
1 Replies
7015 Views |
October 23, 2008, 01:03:43 PMby Arnim |
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qsGW vs evGW convergence
Started by martijn |
2 Replies
3621 Views |
April 23, 2021, 10:45:55 AM by martijn |
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Re and Im part for dynamic polarizability
Started by olga |
2 Replies
6548 Views |
April 15, 2013, 11:01:05 AM by olga |
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rigw_contour vs rigw vs GW
Started by martijn |
5 Replies
4599 Views |
August 01, 2020, 11:40:08 AM by chris.hol |
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1 Replies
5642 Views |
March 08, 2012, 02:23:14 PM by antti_karttunen |
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5 Replies
13907 Views |
March 10, 2009, 12:30:48 AM by ylniu |
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singlet excitation
Started by lsikk |
4 Replies
10044 Views |
June 05, 2007, 11:37:44 AM by lsikk |
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4 Replies
15967 Views |
April 21, 2016, 04:04:03 PM by JakubV |
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Spin-Orbit coupling
Started by plato |
0 Replies
7061 Views |
April 30, 2009, 10:38:58 PM by plato |
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Strange excitations while using desy
Started by Kwiatkowski |
1 Replies
5166 Views |
October 01, 2015, 10:34:26 AM by christof.haettig |
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Subsequent Escf runs - How to?
Started by marcen |
0 Replies
3942 Views |
March 14, 2018, 10:56:15 AM by marcen |
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4 Replies
4031 Views |
September 23, 2021, 11:10:58 PM by martijn |
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Symmetry of excited states
Started by dcav |
0 Replies
4179 Views |
December 10, 2017, 12:45:02 PM by dcav |
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TD DFT - excited state natural orbitals
Started by qadir |
5 Replies
9814 Views |
March 19, 2020, 04:28:02 PM by finrod |
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3 Replies
7072 Views |
May 08, 2012, 03:27:25 PM by e.berardo |
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TDDFT calculations using b3-lyp functional
Started by golden |
1 Replies
7249 Views |
September 15, 2012, 09:42:11 PM by Christof |
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TDDFT cosmo
Started by jbaltrus |
0 Replies
5093 Views |
October 02, 2010, 01:56:30 AM by jbaltrus |
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TDDFT excited state optimization fails
Started by basklau |
2 Replies
11097 Views |
July 26, 2016, 05:48:20 PM by JakubV |
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TDDFT Transition Dipole Reference
Started by robagl9695 |
2 Replies
3607 Views |
June 03, 2021, 10:28:34 PM by robagl9695 |
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TDDFT with B97-3c
Started by luyj |
0 Replies
2854 Views |
June 12, 2020, 06:22:55 PM by luyj |
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