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problem with "jobex -ex"
Started by kankanxiaoya |
1 Replies
6582 Views |
December 09, 2011, 09:00:35 AMby uwe |
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3 Replies
7447 Views |
October 26, 2011, 02:49:23 PM by Ian K |
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2 Replies
6720 Views |
October 24, 2011, 07:16:16 PM by Ian K |
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I get no gradient file
Started by Lara |
6 Replies
9314 Views |
October 11, 2011, 02:52:37 PM by Lara |
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periodic boundary conditions
Started by asaf |
2 Replies
7204 Views |
August 29, 2011, 06:47:02 PM by pski |
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Optimization failed in excited state
Started by wuhen |
1 Replies
5967 Views |
July 22, 2011, 04:47:01 PM by amavr78 |
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2 Replies
7761 Views |
May 05, 2011, 10:08:10 AM by uwe |
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Perrhenate, ECP, B3LYP
Started by wilhelm |
1 Replies
6064 Views |
April 26, 2011, 04:23:13 PM by Arnim |
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2 Replies
7741 Views |
January 12, 2011, 02:36:04 PM by amavr78 |
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CC2 optimizations and bond lengths
Started by wilhelm |
3 Replies
9956 Views |
November 18, 2010, 05:55:04 PM by christof.haettig |
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using RI with hybrid functionals
Started by doguapo |
1 Replies
7502 Views |
August 06, 2010, 09:03:14 PM by uwe |
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1 Replies
6059 Views |
July 26, 2010, 12:36:21 PM by Arnim |
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Excited state optimization
Started by Beverly |
5 Replies
13139 Views |
July 24, 2010, 06:29:00 AM by jbaltrus |
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1 Replies
6632 Views |
May 19, 2010, 07:40:40 PM by jbaltrus |
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doublet excited state optimization
Started by lyzhu |
0 Replies
7139 Views |
December 15, 2009, 04:50:42 PM by lyzhu |
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DFT+D geometry optimization
Started by lyzhu |
5 Replies
11680 Views |
November 05, 2009, 08:36:33 PM by dlchen |
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2 Replies
7281 Views |
October 27, 2009, 04:05:44 PM by evgeniy |
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2 Replies
7458 Views |
October 12, 2009, 03:55:55 PM by willows9803 |
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0 Replies
5850 Views |
October 08, 2009, 06:16:38 PM by evgeniy |
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0 Replies
5853 Views |
October 05, 2009, 04:04:43 PM by evgeniy |
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