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Egrad with TPSSH-functional
Started by fkreu |
1 Replies
3695 Views |
July 14, 2020, 05:44:52 PMby Arnim |
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can escf run in parallel?
Started by golden |
1 Replies
5104 Views |
February 28, 2012, 07:47:33 AM by antti_karttunen |
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1 Replies
5689 Views |
March 08, 2012, 02:23:14 PM by antti_karttunen |
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TDDFT calculations using b3-lyp functional
Started by golden |
1 Replies
7292 Views |
September 15, 2012, 09:42:11 PM by Christof |
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egrad density difference (ed.plt)
Started by Helph |
2 Replies
2656 Views |
April 15, 2024, 09:39:25 AM by Helph |
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Abnormal termination of egrad
Started by jakob |
1 Replies
5942 Views |
August 09, 2016, 08:51:54 PM by uwe |
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Escf for 2c- (spin-orbit) SCF/DFT
Started by JakubV |
3 Replies
3243 Views |
February 15, 2023, 11:56:32 AM by chris.hol |
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twoint empty
Started by jbaltrus |
0 Replies
4597 Views |
June 22, 2011, 03:44:54 PM by jbaltrus |
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TDDFT cosmo
Started by jbaltrus |
0 Replies
5142 Views |
October 02, 2010, 01:56:30 AM by jbaltrus |
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problems with S1 optimization
Started by jc3 |
1 Replies
7056 Views |
October 23, 2008, 01:03:43 PM by Arnim |
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EGRAD and NBO
Started by jchackett |
1 Replies
6145 Views |
May 28, 2009, 10:16:07 AM by Arnim |
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2 Replies
6373 Views |
February 05, 2015, 06:48:12 PM by Jerry |
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How to switch off the XC kernel?
Started by JohnZhou_case |
0 Replies
3444 Views |
April 18, 2022, 09:10:23 PM by JohnZhou_case |
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1 Replies
6521 Views |
January 15, 2010, 08:26:29 AM by christof.haettig |
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0 Replies
5355 Views |
March 22, 2010, 04:59:41 PM by kmlin |
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Strange excitations while using desy
Started by Kwiatkowski |
1 Replies
5210 Views |
October 01, 2015, 10:34:26 AM by christof.haettig |
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0 Replies
5394 Views |
February 06, 2015, 02:00:28 PM by Leprechaum |
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1 Replies
5362 Views |
November 20, 2015, 03:52:19 PM by christof.haettig |
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1 Replies
9812 Views |
February 26, 2007, 05:42:27 PM by dimi |
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singlet excitation
Started by lsikk |
4 Replies
10101 Views |
June 05, 2007, 11:37:44 AM by lsikk |
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