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TDDFT excited state optimization fails
Started by basklau |
2 Replies
10414 Views |
July 26, 2016, 05:48:20 PMby JakubV |
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2 Replies
5646 Views |
February 05, 2015, 06:48:12 PM by Jerry |
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Re and Im part for dynamic polarizability
Started by olga |
2 Replies
5938 Views |
April 15, 2013, 11:01:05 AM by olga |
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Egrad
Started by Pandiselvi |
2 Replies
1158 Views |
March 24, 2023, 04:54:41 PM by Pingping |
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not enough core memory escf
Started by e.berardo |
3 Replies
6221 Views |
July 12, 2013, 04:44:21 PM by e.berardo |
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Escf for 2c- (spin-orbit) SCF/DFT
Started by JakubV |
3 Replies
223 Views |
February 15, 2023, 11:56:32 AM by chris.hol |
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3 Replies
7238 Views |
May 18, 2013, 11:55:51 AM by antti_karttunen |
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BSE excitation calculations
Started by martijn |
3 Replies
1562 Views |
August 05, 2020, 11:42:58 AM by chris.hol |
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Analysis of BSE excitations
Started by martijn |
3 Replies
1539 Views |
November 07, 2020, 02:13:39 AM by martijn |
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transition dipole moment
Started by arek1arek |
3 Replies
8913 Views |
September 14, 2009, 09:19:57 AM by christof.haettig |
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Error message from ESCF
Started by slackenerny |
3 Replies
9012 Views |
August 06, 2010, 09:15:23 PM by uwe |
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3 Replies
6325 Views |
May 08, 2012, 03:27:25 PM by e.berardo |
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3 Replies
5742 Views |
May 28, 2012, 04:58:43 PM by mimonge |
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3 Replies
6499 Views |
October 21, 2015, 10:51:43 PM by christof.haettig |
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3 Replies
8458 Views |
May 21, 2008, 02:52:24 PM by uwe |
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singlet excitation
Started by lsikk |
4 Replies
9177 Views |
June 05, 2007, 11:37:44 AM by lsikk |
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egrad error: nfun > 10
Started by sv |
4 Replies
8061 Views |
December 21, 2007, 11:43:47 AM by uwe |
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4 Replies
14973 Views |
April 21, 2016, 04:04:03 PM by JakubV |
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4 Replies
1474 Views |
September 23, 2021, 11:10:58 PM by martijn |
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TD DFT - excited state natural orbitals
Started by qadir |
5 Replies
8854 Views |
March 19, 2020, 04:28:02 PM by finrod |
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