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3 Replies
21975 Views |
May 28, 2012, 04:58:43 PMby mimonge |
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0 Replies
17158 Views |
June 26, 2012, 12:24:47 PM by martijn |
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Problem with EGRAD
Started by mimonge |
2 Replies
20401 Views |
July 12, 2012, 10:36:57 AM by mimonge |
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1 Replies
26306 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
26344 Views |
September 15, 2012, 09:42:11 PM by Christof |
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Combining population analysis and ricc2.
Started by Addiw7 |
0 Replies
18824 Views |
April 09, 2013, 10:59:04 PM by Addiw7 |
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Re and Im part for dynamic polarizability
Started by olga |
2 Replies
27904 Views |
April 15, 2013, 11:01:05 AM by olga |
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6 Replies
31899 Views |
May 16, 2013, 02:56:33 PM by Hauke |
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3 Replies
24145 Views |
May 18, 2013, 11:55:51 AM by antti_karttunen |
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not enough core memory escf
Started by e.berardo |
3 Replies
22784 Views |
July 12, 2013, 04:44:21 PM by e.berardo |
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1 Replies
20855 Views |
August 02, 2013, 03:48:13 PM by uwe |
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total dipole moment in egrad output
Started by tmartin |
1 Replies
20420 Views |
October 10, 2014, 11:25:12 AM by tmartin |
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2 Replies
22318 Views |
February 05, 2015, 06:48:12 PM by Jerry |
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0 Replies
26645 Views |
February 06, 2015, 02:00:28 PM by Leprechaum |
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Strange excitations while using desy
Started by Kwiatkowski |
1 Replies
29584 Views |
October 01, 2015, 10:34:26 AM by christof.haettig |
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1 Replies
30205 Views |
October 01, 2015, 10:54:00 AM by christof.haettig |
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3 Replies
26942 Views |
October 21, 2015, 10:51:43 PM by christof.haettig |
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1 Replies
30533 Views |
November 20, 2015, 03:52:19 PM by christof.haettig |
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4 Replies
38960 Views |
April 21, 2016, 04:04:03 PM by JakubV |
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TDDFT excited state optimization fails
Started by basklau |
2 Replies
30934 Views |
July 26, 2016, 05:48:20 PM by JakubV |
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