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How to switch off the XC kernel?
Started by JohnZhou_case |
0 Replies
3045 Views |
April 18, 2022, 09:10:23 PMby JohnZhou_case |
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2 Replies
6336 Views |
February 05, 2015, 06:48:12 PM by Jerry |
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EGRAD and NBO
Started by jchackett |
1 Replies
6117 Views |
May 28, 2009, 10:16:07 AM by Arnim |
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problems with S1 optimization
Started by jc3 |
1 Replies
7027 Views |
October 23, 2008, 01:03:43 PM by Arnim |
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twoint empty
Started by jbaltrus |
0 Replies
4560 Views |
June 22, 2011, 03:44:54 PM by jbaltrus |
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TDDFT cosmo
Started by jbaltrus |
0 Replies
5104 Views |
October 02, 2010, 01:56:30 AM by jbaltrus |
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Escf for 2c- (spin-orbit) SCF/DFT
Started by JakubV |
3 Replies
2833 Views |
February 15, 2023, 11:56:32 AM by chris.hol |
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Abnormal termination of egrad
Started by jakob |
1 Replies
5904 Views |
August 09, 2016, 08:51:54 PM by uwe |
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egrad density difference (ed.plt)
Started by Helph |
2 Replies
2182 Views |
April 15, 2024, 09:39:25 AM by Helph |
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can escf run in parallel?
Started by golden |
1 Replies
5068 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
7262 Views |
September 15, 2012, 09:42:11 PM by Christof |
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1 Replies
5652 Views |
March 08, 2012, 02:23:14 PM by antti_karttunen |
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Egrad with TPSSH-functional
Started by fkreu |
1 Replies
3659 Views |
July 14, 2020, 05:44:52 PM by Arnim |
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Error during GW calculation with symmetry
Started by fbHRO |
0 Replies
2395 Views |
September 25, 2023, 03:31:00 PM by fbHRO |
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3 Replies
7216 Views |
October 21, 2015, 10:51:43 PM by christof.haettig |
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not enough core memory escf
Started by e.berardo |
3 Replies
6906 Views |
July 12, 2013, 04:44:21 PM by e.berardo |
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3 Replies
7089 Views |
May 08, 2012, 03:27:25 PM by e.berardo |
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2 Replies
8321 Views |
December 16, 2009, 10:48:08 AM by Stephan |
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Permanent dipole moment excited states
Started by dpleft |
2 Replies
2584 Views |
June 27, 2023, 06:49:43 PM by dpleft |
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1 Replies
8981 Views |
November 24, 2009, 08:30:48 PM by antti_karttunen |
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