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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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1 Replies
7203 Views |
August 23, 2016, 03:03:00 AM by JakubV |
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Strange excitations while using desy
Started by Kwiatkowski |
1 Replies
4564 Views |
October 01, 2015, 10:34:26 AM by christof.haettig |
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1 Replies
4868 Views |
October 01, 2015, 10:54:00 AM by christof.haettig |
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1 Replies
4707 Views |
November 20, 2015, 03:52:19 PM by christof.haettig |
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Parallel version?
Started by cb |
1 Replies
6659 Views |
September 21, 2007, 11:38:21 PM by turbomaster |
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1 Replies
8001 Views |
February 26, 2007, 08:53:26 AM by uwe |
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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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1 Replies
5669 Views |
February 09, 2009, 09:30:32 AM by uwe |
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1 Replies
8310 Views |
November 24, 2009, 08:30:48 PM by antti_karttunen |
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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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1 Replies
5375 Views |
January 20, 2011, 02:21:59 PM by christof.haettig |
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1 Replies
5988 Views |
April 12, 2011, 05:36:08 PM by uwe |
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Egrad with TPSSH-functional
Started by fkreu |
1 Replies
1613 Views |
July 14, 2020, 05:44:52 PM by Arnim |
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1 Replies
6208 Views |
June 07, 2010, 11:02:32 AM by Arnim |
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can escf run in parallel?
Started by golden |
1 Replies
4476 Views |
February 28, 2012, 07:47:33 AM by antti_karttunen |
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1 Replies
5015 Views |
March 08, 2012, 02:23:14 PM by antti_karttunen |
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EGRAD and NBO
Started by jchackett |
1 Replies
5514 Views |
May 28, 2009, 10:16:07 AM by Arnim |
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1 Replies
6367 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
6627 Views |
September 15, 2012, 09:42:11 PM by Christof |
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