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2 Replies
8208 Views |
February 05, 2015, 06:48:12 PMby Jerry |
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TDDFT excited state optimization fails
Started by basklau |
2 Replies
13116 Views |
July 26, 2016, 05:48:20 PM by JakubV |
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exited state polarizability
Started by lsikk |
2 Replies
10748 Views |
March 27, 2009, 02:57:09 PM by christof.haettig |
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2 Replies
10198 Views |
December 16, 2009, 10:48:08 AM by Stephan |
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triplet excitations with dft and hf
Started by motago |
2 Replies
10037 Views |
February 27, 2009, 01:26:02 AM by motago |
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2 Replies
10051 Views |
December 09, 2011, 06:22:34 PM by biophys2012 |
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qsGW vs evGW convergence
Started by martijn |
2 Replies
6430 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
8378 Views |
April 15, 2013, 11:01:05 AM by olga |
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2 Replies
9771 Views |
March 31, 2008, 11:51:31 AM by christof.haettig |
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escf for open-shell
Started by cdicker2 |
2 Replies
6865 Views |
August 27, 2020, 01:18:33 AM by cdicker2 |
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Escf for 2c- (spin-orbit) SCF/DFT
Started by JakubV |
3 Replies
5707 Views |
February 15, 2023, 11:56:32 AM by chris.hol |
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not enough core memory escf
Started by e.berardo |
3 Replies
8770 Views |
July 12, 2013, 04:44:21 PM by e.berardo |
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3 Replies
12032 Views |
May 21, 2008, 02:52:24 PM by uwe |
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transition dipole moment
Started by arek1arek |
3 Replies
11579 Views |
September 14, 2009, 09:19:57 AM by christof.haettig |
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3 Replies
10022 Views |
May 18, 2013, 11:55:51 AM by antti_karttunen |
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Error message from ESCF
Started by slackenerny |
3 Replies
11705 Views |
August 06, 2010, 09:15:23 PM by uwe |
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3 Replies
9110 Views |
October 21, 2015, 10:51:43 PM by christof.haettig |
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3 Replies
8319 Views |
May 28, 2012, 04:58:43 PM by mimonge |
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3 Replies
8985 Views |
May 08, 2012, 03:27:25 PM by e.berardo |
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Analysis of BSE excitations
Started by martijn |
3 Replies
6912 Views |
November 07, 2020, 02:13:39 AM by martijn |
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