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Symmetry of excited states
Started by dcav |
0 Replies
3543 Views |
December 10, 2017, 12:45:02 PMby dcav |
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1 Replies
5961 Views |
April 12, 2011, 05:36:08 PM by uwe |
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can escf run in parallel?
Started by golden |
1 Replies
4447 Views |
February 28, 2012, 07:47:33 AM by antti_karttunen |
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1 Replies
6170 Views |
June 07, 2010, 11:02:32 AM by Arnim |
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1 Replies
7171 Views |
August 23, 2016, 03:03:00 AM by JakubV |
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1 Replies
4982 Views |
March 08, 2012, 02:23:14 PM by antti_karttunen |
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total dipole moment in egrad output
Started by tmartin |
1 Replies
5484 Views |
October 10, 2014, 11:25:12 AM by tmartin |
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1 Replies
5825 Views |
January 15, 2010, 08:26:29 AM by christof.haettig |
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1 Replies
8265 Views |
November 24, 2009, 08:30:48 PM by antti_karttunen |
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Strange excitations while using desy
Started by Kwiatkowski |
1 Replies
4532 Views |
October 01, 2015, 10:34:26 AM by christof.haettig |
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1 Replies
6336 Views |
July 24, 2012, 02:03:58 PM by pwzhou |
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TDDFT calculations using b3-lyp functional
Started by golden |
1 Replies
6596 Views |
September 15, 2012, 09:42:11 PM by Christof |
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1 Replies
7959 Views |
February 26, 2007, 08:53:26 AM by uwe |
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1 Replies
6619 Views |
June 02, 2008, 06:11:01 PM by christof.haettig |
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1 Replies
7390 Views |
June 16, 2008, 01:12:51 PM by christof.haettig |
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Abnormal termination of egrad
Started by jakob |
1 Replies
5038 Views |
August 09, 2016, 08:51:54 PM by uwe |
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Parallel version?
Started by cb |
1 Replies
6626 Views |
September 21, 2007, 11:38:21 PM by turbomaster |
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EGRAD and NBO
Started by jchackett |
1 Replies
5478 Views |
May 28, 2009, 10:16:07 AM by Arnim |
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uncoupled polarizabilities
Started by ccsdt |
1 Replies
5873 Views |
September 14, 2009, 09:24:46 AM by christof.haettig |
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1 Replies
8724 Views |
February 26, 2007, 05:42:27 PM by dimi |
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