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Symmetry of excited states
Started by dcav |
0 Replies
4187 Views |
December 10, 2017, 12:45:02 PMby dcav |
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0 Replies
3686 Views |
April 02, 2019, 10:46:52 AM by rvaliev |
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EGRAD and NBO
Started by jchackett |
1 Replies
6117 Views |
May 28, 2009, 10:16:07 AM by Arnim |
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1 Replies
9763 Views |
February 26, 2007, 05:42:27 PM by dimi |
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1 Replies
5471 Views |
October 01, 2015, 10:54:00 AM by christof.haettig |
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can escf run in parallel?
Started by golden |
1 Replies
5067 Views |
February 28, 2012, 07:47:33 AM by antti_karttunen |
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1 Replies
5945 Views |
January 20, 2011, 02:21:59 PM by christof.haettig |
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1 Replies
6590 Views |
April 12, 2011, 05:36:08 PM by uwe |
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1 Replies
5651 Views |
March 08, 2012, 02:23:14 PM by antti_karttunen |
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uncoupled polarizabilities
Started by ccsdt |
1 Replies
6556 Views |
September 14, 2009, 09:24:46 AM by christof.haettig |
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1 Replies
667 Views |
April 05, 2024, 03:42:52 PM by yannickf |
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1 Replies
7362 Views |
June 02, 2008, 06:11:01 PM by christof.haettig |
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total dipole moment in egrad output
Started by tmartin |
1 Replies
6251 Views |
October 10, 2014, 11:25:12 AM by tmartin |
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1 Replies
8085 Views |
June 16, 2008, 01:12:51 PM by christof.haettig |
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problems with S1 optimization
Started by jc3 |
1 Replies
7026 Views |
October 23, 2008, 01:03:43 PM by Arnim |
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Abnormal termination of egrad
Started by jakob |
1 Replies
5901 Views |
August 09, 2016, 08:51:54 PM by uwe |
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1 Replies
7027 Views |
July 24, 2012, 02:03:58 PM by pwzhou |
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1 Replies
6298 Views |
February 09, 2009, 09:30:32 AM by uwe |
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TDDFT calculations using b3-lyp functional
Started by golden |
1 Replies
7262 Views |
September 15, 2012, 09:42:11 PM by Christof |
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Parallel version?
Started by cb |
1 Replies
7473 Views |
September 21, 2007, 11:38:21 PM by turbomaster |
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