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faults in run with jobbsse
Started by Jandir |
5 Replies
8367 Views |
March 24, 2014, 02:46:01 PMby Jandir |
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0 Replies
8401 Views |
February 25, 2007, 08:17:45 PM by Lohengrin |
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B2-PLYP never works
Started by Arrepiadd |
1 Replies
8543 Views |
February 22, 2008, 11:15:51 AM by antti_karttunen |
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jobex results in molecule rotation
Started by luyj |
5 Replies
8771 Views |
September 07, 2016, 04:43:02 PM by uwe |
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1 Replies
9073 Views |
January 07, 2008, 08:36:09 AM by christof.haettig |
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problems with jobex convcheck.f
Started by annaamat |
1 Replies
9078 Views |
March 25, 2008, 11:18:08 AM by uwe |
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I get no gradient file
Started by Lara |
6 Replies
9262 Views |
October 11, 2011, 02:52:37 PM by Lara |
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checking number of negative eigenvalues
Started by gojimeo |
2 Replies
9378 Views |
February 28, 2008, 10:21:17 PM by gojimeo |
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3 Replies
9567 Views |
October 06, 2016, 06:01:46 PM by christof.haettig |
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3 Replies
9648 Views |
May 16, 2012, 12:38:48 PM by antti_karttunen |
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metastase
Started by Matteo Guglielmi |
2 Replies
9703 Views |
February 27, 2009, 02:51:35 AM by Matteo Guglielmi |
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CC2 optimizations and bond lengths
Started by wilhelm |
3 Replies
9899 Views |
November 18, 2010, 05:55:04 PM by christof.haettig |
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5 Replies
9922 Views |
March 07, 2012, 02:22:23 PM by antti_karttunen |
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Simulated Annealing
Started by Gopakumar |
2 Replies
9940 Views |
April 12, 2007, 01:11:31 PM by Gopakumar |
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2 Replies
10034 Views |
August 22, 2007, 02:30:01 PM by antti_karttunen |
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2 Replies
10122 Views |
April 24, 2007, 09:28:41 PM by lasermichel |
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how to stop the calculation
Started by golden |
4 Replies
10222 Views |
January 24, 2012, 04:50:47 PM by golden |
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DFT+D geometry optimization
Started by lyzhu |
5 Replies
11615 Views |
November 05, 2009, 08:36:33 PM by dlchen |
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Triplet state optimization
Started by Beverly |
7 Replies
11995 Views |
October 02, 2008, 01:56:06 PM by Arnim |
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finding saddle points with jobex -trans
Started by lsikk |
3 Replies
12059 Views |
May 01, 2007, 11:34:27 AM by antti_karttunen |
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