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1 Replies
4561 Views |
March 08, 2012, 02:23:14 PMby antti_karttunen |
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TDDFT calculations using b3-lyp functional
Started by golden |
1 Replies
6114 Views |
September 15, 2012, 09:42:11 PM by Christof |
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unreliable spectra with radless
Started by hd1055 |
0 Replies
469 Views |
November 18, 2020, 11:30:25 AM by hd1055 |
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Abnormal termination of egrad
Started by jakob |
1 Replies
4339 Views |
August 09, 2016, 08:51:54 PM by uwe |
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TDDFT cosmo
Started by jbaltrus |
0 Replies
4076 Views |
October 02, 2010, 01:56:30 AM by jbaltrus |
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twoint empty
Started by jbaltrus |
0 Replies
3663 Views |
June 22, 2011, 03:44:54 PM by jbaltrus |
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problems with S1 optimization
Started by jc3 |
1 Replies
5842 Views |
October 23, 2008, 01:03:43 PM by Arnim |
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EGRAD and NBO
Started by jchackett |
1 Replies
4998 Views |
May 28, 2009, 10:16:07 AM by Arnim |
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2 Replies
5056 Views |
February 05, 2015, 06:48:12 PM by Jerry |
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1 Replies
5340 Views |
January 15, 2010, 08:26:29 AM by christof.haettig |
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0 Replies
4264 Views |
March 22, 2010, 04:59:41 PM by kmlin |
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Strange excitations while using desy
Started by Kwiatkowski |
1 Replies
4070 Views |
October 01, 2015, 10:34:26 AM by christof.haettig |
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0 Replies
4264 Views |
February 06, 2015, 02:00:28 PM by Leprechaum |
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1 Replies
4207 Views |
November 20, 2015, 03:52:19 PM by christof.haettig |
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1 Replies
8122 Views |
February 26, 2007, 05:42:27 PM by dimi |
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singlet excitation
Started by lsikk |
4 Replies
8557 Views |
June 05, 2007, 11:37:44 AM by lsikk |
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exited state polarizability
Started by lsikk |
2 Replies
7615 Views |
March 27, 2009, 02:57:09 PM by christof.haettig |
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TDDFT with B97-3c
Started by luyj |
0 Replies
864 Views |
June 12, 2020, 06:22:55 PM by luyj |
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Subsequent Escf runs - How to?
Started by marcen |
0 Replies
2604 Views |
March 14, 2018, 10:56:15 AM by marcen |
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TPSS supported by escf?
Started by marius |
2 Replies
6007 Views |
December 13, 2010, 04:13:30 PM by barbatti |
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