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Optimization error with symmetry
Started by ylniu |
0 Replies
6962 Views |
July 09, 2009, 09:09:12 AMby ylniu |
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Optimization failed in excited state
Started by wuhen |
1 Replies
5990 Views |
July 22, 2011, 04:47:01 PM by amavr78 |
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1 Replies
7943 Views |
July 02, 2008, 05:36:20 PM by uwe |
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2 Replies
7485 Views |
October 12, 2009, 03:55:55 PM by willows9803 |
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Perrhenate, ECP, B3LYP
Started by wilhelm |
1 Replies
6088 Views |
April 26, 2011, 04:23:13 PM by Arnim |
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CC2 optimizations and bond lengths
Started by wilhelm |
3 Replies
9983 Views |
November 18, 2010, 05:55:04 PM by christof.haettig |
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1 Replies
5470 Views |
April 01, 2016, 01:43:21 PM by Arnim |
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1 Replies
9187 Views |
January 07, 2008, 08:36:09 AM by christof.haettig |
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2 Replies
6776 Views |
November 13, 2012, 02:45:05 PM by vvallet |
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molecular dynamics not getting started
Started by vsharma |
1 Replies
6377 Views |
April 29, 2013, 10:34:58 AM by Arnim |
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0 Replies
5264 Views |
January 22, 2016, 04:29:05 PM by uwe |
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Problem finding local minium
Started by Turboooo |
2 Replies
5707 Views |
April 19, 2013, 09:07:20 AM by Turboooo |
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1 Replies
7818 Views |
January 11, 2009, 12:58:30 PM by christof.haettig |
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RDGRAD Failing in SMP with RIJK
Started by tjmustard |
1 Replies
6234 Views |
April 27, 2012, 12:27:37 PM by uwe |
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dipole moment from MD run
Started by sruta |
0 Replies
3385 Views |
February 14, 2022, 10:17:55 AM by sruta |
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4 Replies
15501 Views |
January 24, 2007, 02:32:39 AM by someseesee |
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Constrained optimization
Started by sfomine |
0 Replies
5518 Views |
October 11, 2012, 05:37:19 AM by sfomine |
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1 Replies
5961 Views |
October 07, 2016, 02:18:45 PM by christof.haettig |
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could not find file <uffhessian0-0>
Started by purplekey |
2 Replies
7720 Views |
September 27, 2008, 05:03:38 AM by purplekey |
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1 Replies
2770 Views |
December 17, 2023, 11:18:13 PM by uwe |
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