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Egrad with TPSSH-functional
Started by fkreu |
1 Replies
9674 Views |
July 14, 2020, 05:44:52 PMby Arnim |
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can escf run in parallel?
Started by golden |
1 Replies
10788 Views |
February 28, 2012, 07:47:33 AM by antti_karttunen |
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1 Replies
11359 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
12942 Views |
September 15, 2012, 09:42:11 PM by Christof |
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egrad density difference (ed.plt)
Started by Helph |
2 Replies
15920 Views |
April 15, 2024, 09:39:25 AM by Helph |
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NTO Generation of X2C Calculations
Started by hherbol |
0 Replies
4718 Views |
October 28, 2024, 09:19:21 PM by hherbol |
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SOC Constants
Started by hherbol |
4 Replies
7409 Views |
June 12, 2025, 04:43:56 PM by hherbol |
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Abnormal termination of egrad
Started by jakob |
1 Replies
12031 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
12913 Views |
February 15, 2023, 11:56:32 AM by chris.hol |
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TDDFT cosmo
Started by jbaltrus |
0 Replies
10160 Views |
October 02, 2010, 01:56:30 AM by jbaltrus |
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twoint empty
Started by jbaltrus |
0 Replies
9754 Views |
June 22, 2011, 03:44:54 PM by jbaltrus |
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problems with S1 optimization
Started by jc3 |
1 Replies
13004 Views |
October 23, 2008, 01:03:43 PM by Arnim |
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EGRAD and NBO
Started by jchackett |
1 Replies
11906 Views |
May 28, 2009, 10:16:07 AM by Arnim |
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2 Replies
12763 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
10781 Views |
April 18, 2022, 09:10:23 PM by JohnZhou_case |
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Keywords for CVS-BSE in Turbomole 7.9
Started by keweiz |
9 Replies
4831 Views |
May 07, 2025, 04:13:58 PM by chris.hol |
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1 Replies
12198 Views |
January 15, 2010, 08:26:29 AM by christof.haettig |
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0 Replies
10448 Views |
March 22, 2010, 04:59:41 PM by kmlin |
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Strange excitations while using desy
Started by Kwiatkowski |
1 Replies
10900 Views |
October 01, 2015, 10:34:26 AM by christof.haettig |
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0 Replies
10457 Views |
February 06, 2015, 02:00:28 PM by Leprechaum |
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