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5 Replies
8481 Views |
March 10, 2009, 12:30:48 amby ylniu |
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Combining population analysis and ricc2.
Started by Addiw7 |
0 Replies
2096 Views |
April 09, 2013, 10:59:04 pm by Addiw7 |
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4 Replies
7184 Views |
April 21, 2016, 04:04:03 pm by JakubV |
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transition dipole moment
Started by arek1arek |
3 Replies
5946 Views |
September 14, 2009, 09:19:57 am by christof.haettig |
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TDDFT excited state optimization fails
Started by basklau |
2 Replies
5522 Views |
July 26, 2016, 05:48:20 pm by JakubV |
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1 Replies
3752 Views |
August 02, 2013, 03:48:13 pm by uwe |
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2 Replies
4681 Views |
December 09, 2011, 06:22:34 pm by biophys2012 |
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6 Replies
4554 Views |
May 16, 2013, 02:56:33 pm by Hauke |
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3 Replies
3382 Views |
May 18, 2013, 11:55:51 am by antti_karttunen |
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Parallel version?
Started by cb |
1 Replies
4240 Views |
September 21, 2007, 11:38:21 pm by turbomaster |
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uncoupled polarizabilities
Started by ccsdt |
1 Replies
3583 Views |
September 14, 2009, 09:24:46 am by christof.haettig |
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1 Replies
5094 Views |
November 24, 2009, 08:30:48 pm by antti_karttunen |
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2 Replies
4994 Views |
December 16, 2009, 10:48:08 am by Stephan |
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3 Replies
3638 Views |
May 08, 2012, 03:27:25 pm by e.berardo |
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not enough core memory escf
Started by e.berardo |
3 Replies
2987 Views |
July 12, 2013, 04:44:21 pm by e.berardo |
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3 Replies
1837 Views |
October 21, 2015, 10:51:43 pm by christof.haettig |
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can escf run in parallel?
Started by golden |
1 Replies
2425 Views |
February 28, 2012, 07:47:33 am by antti_karttunen |
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TDDFT calculations using b3-lyp functional
Started by golden |
1 Replies
4358 Views |
September 15, 2012, 09:42:11 pm by Christof |
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1 Replies
2846 Views |
March 08, 2012, 02:23:14 pm by antti_karttunen |
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Abnormal termination of egrad
Started by jakob |
1 Replies
949 Views |
August 09, 2016, 08:51:54 pm by uwe |
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