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1 Replies
8085 Views |
June 16, 2008, 01:12:51 PMby christof.haettig |
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1 Replies
6790 Views |
June 07, 2010, 11:02:32 AM by Arnim |
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How can I get transition density?
Started by ylniu |
0 Replies
6444 Views |
March 10, 2009, 12:01:10 AM by ylniu |
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0 Replies
4799 Views |
September 21, 2016, 10:43:17 AM by Xiaoyan |
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0 Replies
6319 Views |
May 16, 2008, 04:28:16 PM by wiking |
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gradient evaluation error
Started by wasif |
0 Replies
4142 Views |
June 01, 2018, 05:12:29 AM by wasif |
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8 Replies
16503 Views |
July 03, 2008, 08:52:21 AM by christof.haettig |
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1 Replies
6298 Views |
February 09, 2009, 09:30:32 AM by uwe |
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total dipole moment in egrad output
Started by tmartin |
1 Replies
6249 Views |
October 10, 2014, 11:25:12 AM by tmartin |
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egrad error: nfun > 10
Started by sv |
4 Replies
8901 Views |
December 21, 2007, 11:43:47 AM by uwe |
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1 Replies
8916 Views |
February 26, 2007, 08:53:26 AM by uwe |
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3 Replies
9384 Views |
May 21, 2008, 02:52:24 PM by uwe |
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Error message from ESCF
Started by slackenerny |
3 Replies
9708 Views |
August 06, 2010, 09:15:23 PM by uwe |
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1 Replies
5945 Views |
January 20, 2011, 02:21:59 PM by christof.haettig |
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1 Replies
4579 Views |
August 29, 2019, 04:03:21 PM by finrod |
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0 Replies
3686 Views |
April 02, 2019, 10:46:52 AM by rvaliev |
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1 Replies
5471 Views |
October 01, 2015, 10:54:00 AM by christof.haettig |
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TDDFT Transition Dipole Reference
Started by robagl9695 |
2 Replies
3649 Views |
June 03, 2021, 10:28:34 PM by robagl9695 |
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TD DFT - excited state natural orbitals
Started by qadir |
5 Replies
9827 Views |
March 19, 2020, 04:28:02 PM by finrod |
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1 Replies
7026 Views |
July 24, 2012, 02:03:58 PM by pwzhou |
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