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Abnormal termination of egrad
Started by jakob |
1 Replies
5802 Views |
August 09, 2016, 08:51:54 PMby uwe |
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COSMO and TDDFT
Started by oana |
0 Replies
5839 Views |
February 19, 2008, 11:40:09 AM by oana |
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1 Replies
5850 Views |
January 20, 2011, 02:21:59 PM by christof.haettig |
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electrostatic properties of excited states
Started by plato |
0 Replies
5971 Views |
June 19, 2009, 01:44:00 PM by plato |
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Problem with EGRAD
Started by mimonge |
2 Replies
6015 Views |
July 12, 2012, 10:36:57 AM by mimonge |
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EGRAD and NBO
Started by jchackett |
1 Replies
6031 Views |
May 28, 2009, 10:16:07 AM by Arnim |
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total dipole moment in egrad output
Started by tmartin |
1 Replies
6152 Views |
October 10, 2014, 11:25:12 AM by tmartin |
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1 Replies
6207 Views |
February 09, 2009, 09:30:32 AM by uwe |
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0 Replies
6226 Views |
May 16, 2008, 04:28:16 PM by wiking |
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2 Replies
6243 Views |
February 05, 2015, 06:48:12 PM by Jerry |
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3 Replies
6335 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
6353 Views |
March 10, 2009, 12:01:10 AM by ylniu |
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1 Replies
6387 Views |
January 15, 2010, 08:26:29 AM by christof.haettig |
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uncoupled polarizabilities
Started by ccsdt |
1 Replies
6465 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
6470 Views |
April 15, 2013, 11:01:05 AM by olga |
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1 Replies
6498 Views |
April 12, 2011, 05:36:08 PM by uwe |
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hyperpolarizability
Started by onthefly |
0 Replies
6548 Views |
July 24, 2008, 10:31:29 AM by onthefly |
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1 Replies
6701 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
6811 Views |
July 12, 2013, 04:44:21 PM by e.berardo |
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triplets-spin contamination
Started by milianb |
0 Replies
6902 Views |
June 01, 2007, 11:38:31 AM by milianb |
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