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3 Replies
9430 Views |
May 21, 2008, 02:52:24 PMby uwe |
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Error message from ESCF
Started by slackenerny |
3 Replies
9762 Views |
August 06, 2010, 09:15:23 PM by uwe |
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transition dipole moment
Started by arek1arek |
3 Replies
9655 Views |
September 14, 2009, 09:19:57 AM by christof.haettig |
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TPSS supported by escf?
Started by marius |
2 Replies
7308 Views |
December 13, 2010, 04:13:30 PM by barbatti |
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qsGW vs evGW convergence
Started by martijn |
2 Replies
4151 Views |
April 23, 2021, 10:45:55 AM by martijn |
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egrad density difference (ed.plt)
Started by Helph |
2 Replies
2689 Views |
April 15, 2024, 09:39:25 AM by Helph |
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2 Replies
6379 Views |
February 05, 2015, 06:48:12 PM by Jerry |
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TDDFT Transition Dipole Reference
Started by robagl9695 |
2 Replies
4126 Views |
June 03, 2021, 10:28:34 PM by robagl9695 |
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Re and Im part for dynamic polarizability
Started by olga |
2 Replies
6600 Views |
April 15, 2013, 11:01:05 AM by olga |
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2 Replies
7774 Views |
March 31, 2008, 11:51:31 AM by christof.haettig |
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2 Replies
8114 Views |
December 09, 2011, 06:22:34 PM by biophys2012 |
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exited state polarizability
Started by lsikk |
2 Replies
8866 Views |
March 27, 2009, 02:57:09 PM by christof.haettig |
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escf for open-shell
Started by cdicker2 |
2 Replies
4610 Views |
August 27, 2020, 01:18:33 AM by cdicker2 |
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TDDFT excited state optimization fails
Started by basklau |
2 Replies
11160 Views |
July 26, 2016, 05:48:20 PM by JakubV |
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Problem with EGRAD
Started by mimonge |
2 Replies
6152 Views |
July 12, 2012, 10:36:57 AM by mimonge |
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Egrad
Started by Pandiselvi |
2 Replies
4187 Views |
March 24, 2023, 04:54:41 PM by Pingping |
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2 Replies
8360 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
8117 Views |
February 27, 2009, 01:26:02 AM by motago |
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Permanent dipole moment excited states
Started by dpleft |
2 Replies
3010 Views |
June 27, 2023, 06:49:43 PM by dpleft |
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Modification of revM11
Started by marand |
2 Replies
2975 Views |
July 12, 2023, 09:29:10 AM by marand |
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