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Strange excitations while using desy
Started by Kwiatkowski |
1 Replies
5325 Views |
October 01, 2015, 10:34:26 AMby christof.haettig |
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Combining population analysis and ricc2.
Started by Addiw7 |
0 Replies
5318 Views |
April 09, 2013, 10:59:04 PM by Addiw7 |
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0 Replies
5285 Views |
June 26, 2012, 12:24:47 PM by martijn |
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TDDFT cosmo
Started by jbaltrus |
0 Replies
5267 Views |
October 02, 2010, 01:56:30 AM by jbaltrus |
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can escf run in parallel?
Started by golden |
1 Replies
5211 Views |
February 28, 2012, 07:47:33 AM by antti_karttunen |
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5 Replies
5079 Views |
May 10, 2021, 02:14:01 PM by chris.hol |
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BSE excitation calculations
Started by martijn |
3 Replies
5078 Views |
August 05, 2020, 11:42:58 AM by chris.hol |
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escf for open-shell
Started by cdicker2 |
2 Replies
5041 Views |
August 27, 2020, 01:18:33 AM by cdicker2 |
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Analysis of BSE excitations
Started by martijn |
3 Replies
5034 Views |
November 07, 2020, 02:13:39 AM by martijn |
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4 Replies
5029 Views |
September 23, 2021, 11:10:58 PM by martijn |
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0 Replies
4931 Views |
September 21, 2016, 10:43:17 AM by Xiaoyan |
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1 Replies
4726 Views |
August 29, 2019, 04:03:21 PM by finrod |
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twoint empty
Started by jbaltrus |
0 Replies
4704 Views |
June 22, 2011, 03:44:54 PM by jbaltrus |
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Egrad
Started by Pandiselvi |
2 Replies
4617 Views |
March 24, 2023, 04:54:41 PM by Pingping |
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qsGW vs evGW convergence
Started by martijn |
2 Replies
4586 Views |
April 23, 2021, 10:45:55 AM by martijn |
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TDDFT Transition Dipole Reference
Started by robagl9695 |
2 Replies
4559 Views |
June 03, 2021, 10:28:34 PM by robagl9695 |
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Temperature of Raman scatt. cross sections
Started by Punix |
0 Replies
4479 Views |
June 09, 2017, 09:34:59 AM by Punix |
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1 Replies
4353 Views |
May 25, 2021, 11:55:15 AM by chris.hol |
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Symmetry of excited states
Started by dcav |
0 Replies
4315 Views |
December 10, 2017, 12:45:02 PM by dcav |
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gradient evaluation error
Started by wasif |
0 Replies
4279 Views |
June 01, 2018, 05:12:29 AM by wasif |
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