Subject / Started by | Replies / Views | Last post | ||
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1 Replies
6021 Views |
May 19, 2010, 07:40:40 PM by jbaltrus |
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1 Replies
5687 Views |
October 07, 2016, 02:18:45 PM by christof.haettig |
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All CPU for jobex
Started by Lara |
0 Replies
4754 Views |
June 16, 2012, 05:15:49 PM by Lara |
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B2-PLYP never works
Started by Arrepiadd |
1 Replies
7956 Views |
February 22, 2008, 11:15:51 AM by antti_karttunen |
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2 Replies
2913 Views |
June 14, 2021, 04:40:04 PM by Arnim |
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Basic AIMD setup
Started by mpjohans |
1 Replies
7223 Views |
October 31, 2008, 03:43:11 PM by selliott |
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1 Replies
5750 Views |
February 09, 2016, 09:36:09 AM by Arnim |
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2 Replies
6134 Views |
October 24, 2011, 07:16:16 PM by Ian K |
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CC2 optimizations and bond lengths
Started by wilhelm |
3 Replies
9338 Views |
November 18, 2010, 05:55:04 PM by christof.haettig |
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checking number of negative eigenvalues
Started by gojimeo |
2 Replies
8780 Views |
February 28, 2008, 10:21:17 PM by gojimeo |
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Constrained optimization
Started by sfomine |
0 Replies
5172 Views |
October 11, 2012, 05:37:19 AM by sfomine |
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Constrained optimizations
Started by gojimeo |
0 Replies
6638 Views |
October 29, 2007, 08:44:54 PM by gojimeo |
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2 Replies
7134 Views |
January 12, 2011, 02:36:04 PM by amavr78 |
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could not find file <uffhessian0-0>
Started by purplekey |
2 Replies
7054 Views |
September 27, 2008, 05:03:38 AM by purplekey |
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counterpoise calculation with jobBSSE
Started by marcel |
6 Replies
16096 Views |
October 06, 2016, 05:44:48 PM by christof.haettig |
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DFT+D geometry optimization
Started by lyzhu |
5 Replies
11044 Views |
November 05, 2009, 08:36:33 PM by dlchen |
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1 Replies
3434 Views |
October 23, 2021, 11:53:50 AM by prasanta13 |
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dipole moment from MD run
Started by sruta |
0 Replies
2146 Views |
February 14, 2022, 10:17:55 AM by sruta |
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doublet excited state optimization
Started by lyzhu |
0 Replies
6529 Views |
December 15, 2009, 04:50:42 PM by lyzhu |
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Doubts with Molecular Orbitals
Started by inozerox |
3 Replies
6462 Views |
April 02, 2016, 02:54:53 PM by inozerox |
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