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total dipole moment in egrad output
Started by tmartin |
1 Replies
5534 Views |
October 10, 2014, 11:25:12 AMby tmartin |
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0 Replies
5626 Views |
May 16, 2008, 04:28:16 PM by wiking |
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2 Replies
5646 Views |
February 05, 2015, 06:48:12 PM by Jerry |
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1 Replies
5669 Views |
February 09, 2009, 09:30:32 AM by uwe |
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3 Replies
5742 Views |
May 28, 2012, 04:58:43 PM by mimonge |
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How can I get transition density?
Started by ylniu |
0 Replies
5806 Views |
March 10, 2009, 12:01:10 AM by ylniu |
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1 Replies
5871 Views |
January 15, 2010, 08:26:29 AM by christof.haettig |
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uncoupled polarizabilities
Started by ccsdt |
1 Replies
5910 Views |
September 14, 2009, 09:24:46 AM by christof.haettig |
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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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1 Replies
5988 Views |
April 12, 2011, 05:36:08 PM by uwe |
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hyperpolarizability
Started by onthefly |
0 Replies
6031 Views |
July 24, 2008, 10:31:29 AM by onthefly |
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triplets-spin contamination
Started by milianb |
0 Replies
6189 Views |
June 01, 2007, 11:38:31 AM by milianb |
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1 Replies
6208 Views |
June 07, 2010, 11:02:32 AM by Arnim |
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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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3 Replies
6325 Views |
May 08, 2012, 03:27:25 PM by e.berardo |
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Spin-Orbit coupling
Started by plato |
0 Replies
6366 Views |
April 30, 2009, 10:38:58 PM by plato |
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1 Replies
6367 Views |
July 24, 2012, 02:03:58 PM by pwzhou |
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problems with S1 optimization
Started by jc3 |
1 Replies
6368 Views |
October 23, 2008, 01:03:43 PM by Arnim |
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3 Replies
6499 Views |
October 21, 2015, 10:51:43 PM by christof.haettig |
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TPSS supported by escf?
Started by marius |
2 Replies
6588 Views |
December 13, 2010, 04:13:30 PM by barbatti |
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