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1 Replies
8586 Views |
September 29, 2017, 12:07:15 PMby uwe |
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B2-PLYP never works
Started by Arrepiadd |
1 Replies
8733 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
8873 Views |
September 07, 2016, 04:43:02 PM by uwe |
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0 Replies
8897 Views |
February 25, 2007, 08:17:45 PM by Lohengrin |
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problems with jobex convcheck.f
Started by annaamat |
1 Replies
9249 Views |
March 25, 2008, 11:18:08 AM by uwe |
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1 Replies
9258 Views |
January 07, 2008, 08:36:09 AM by christof.haettig |
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I get no gradient file
Started by Lara |
6 Replies
9400 Views |
October 11, 2011, 02:52:37 PM by Lara |
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checking number of negative eigenvalues
Started by gojimeo |
2 Replies
9569 Views |
February 28, 2008, 10:21:17 PM by gojimeo |
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3 Replies
9656 Views |
October 06, 2016, 06:01:46 PM by christof.haettig |
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3 Replies
9725 Views |
May 16, 2012, 12:38:48 PM by antti_karttunen |
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metastase
Started by Matteo Guglielmi |
2 Replies
9868 Views |
February 27, 2009, 02:51:35 AM by Matteo Guglielmi |
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5 Replies
9980 Views |
March 07, 2012, 02:22:23 PM by antti_karttunen |
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CC2 optimizations and bond lengths
Started by wilhelm |
3 Replies
10051 Views |
November 18, 2010, 05:55:04 PM by christof.haettig |
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how to stop the calculation
Started by golden |
4 Replies
10273 Views |
January 24, 2012, 04:50:47 PM by golden |
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Simulated Annealing
Started by Gopakumar |
2 Replies
10452 Views |
April 12, 2007, 01:11:31 PM by Gopakumar |
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2 Replies
10535 Views |
August 22, 2007, 02:30:01 PM by antti_karttunen |
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2 Replies
10623 Views |
April 24, 2007, 09:28:41 PM by lasermichel |
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DFT+D geometry optimization
Started by lyzhu |
5 Replies
11775 Views |
November 05, 2009, 08:36:33 PM by dlchen |
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Triplet state optimization
Started by Beverly |
7 Replies
12187 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
12582 Views |
May 01, 2007, 11:34:27 AM by antti_karttunen |
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