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total dipole moment in egrad output
Started by tmartin |
1 Replies
6332 Views |
October 10, 2014, 11:25:12 AMby tmartin |
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1 Replies
7471 Views |
August 02, 2013, 03:48:13 PM by uwe |
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not enough core memory escf
Started by e.berardo |
3 Replies
7007 Views |
July 12, 2013, 04:44:21 PM by e.berardo |
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3 Replies
8149 Views |
May 18, 2013, 11:55:51 AM by antti_karttunen |
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6 Replies
10154 Views |
May 16, 2013, 02:56:33 PM by Hauke |
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Re and Im part for dynamic polarizability
Started by olga |
2 Replies
6643 Views |
April 15, 2013, 11:01:05 AM by olga |
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Combining population analysis and ricc2.
Started by Addiw7 |
0 Replies
5256 Views |
April 09, 2013, 10:59:04 PM by Addiw7 |
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TDDFT calculations using b3-lyp functional
Started by golden |
1 Replies
7340 Views |
September 15, 2012, 09:42:11 PM by Christof |
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1 Replies
7105 Views |
July 24, 2012, 02:03:58 PM by pwzhou |
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Problem with EGRAD
Started by mimonge |
2 Replies
6196 Views |
July 12, 2012, 10:36:57 AM by mimonge |
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0 Replies
5220 Views |
June 26, 2012, 12:24:47 PM by martijn |
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3 Replies
6541 Views |
May 28, 2012, 04:58:43 PM by mimonge |
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3 Replies
7190 Views |
May 08, 2012, 03:27:25 PM by e.berardo |
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1 Replies
5745 Views |
March 08, 2012, 02:23:14 PM by antti_karttunen |
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can escf run in parallel?
Started by golden |
1 Replies
5150 Views |
February 28, 2012, 07:47:33 AM by antti_karttunen |
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2 Replies
8167 Views |
December 09, 2011, 06:22:34 PM by biophys2012 |
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twoint empty
Started by jbaltrus |
0 Replies
4643 Views |
June 22, 2011, 03:44:54 PM by jbaltrus |
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1 Replies
6684 Views |
April 12, 2011, 05:36:08 PM by uwe |
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1 Replies
6041 Views |
January 20, 2011, 02:21:59 PM by christof.haettig |
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TPSS supported by escf?
Started by marius |
2 Replies
7373 Views |
December 13, 2010, 04:13:30 PM by barbatti |
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