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problem with "jobex -ex"
Started by kankanxiaoya |
1 Replies
6573 Views |
December 09, 2011, 09:00:35 AMby uwe |
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Turbomole in two different machines
Started by kmkumar |
1 Replies
6731 Views |
February 05, 2009, 03:29:58 PM by christof.haettig |
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2 Replies
4295 Views |
March 10, 2021, 11:46:49 AM by Krzmbrzl |
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1 Replies
4645 Views |
October 23, 2021, 11:53:50 AM by prasanta13 |
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Frozen Optimization
Started by lanjh |
1 Replies
7698 Views |
May 26, 2008, 11:30:25 AM by uwe |
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2 Replies
6708 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
9299 Views |
October 11, 2011, 02:52:37 PM by Lara |
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All CPU for jobex
Started by Lara |
0 Replies
5112 Views |
June 16, 2012, 05:15:49 PM by Lara |
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2 Replies
10449 Views |
April 24, 2007, 09:28:41 PM by lasermichel |
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temperature in molecular dynamics
Started by LLeppert |
1 Replies
6550 Views |
February 09, 2012, 03:27:09 PM by Arnim |
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0 Replies
8729 Views |
February 25, 2007, 08:17:45 PM by Lohengrin |
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finding saddle points with jobex -trans
Started by lsikk |
3 Replies
12398 Views |
May 01, 2007, 11:34:27 AM by antti_karttunen |
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jobex results in molecule rotation
Started by luyj |
5 Replies
8799 Views |
September 07, 2016, 04:43:02 PM by uwe |
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doublet excited state optimization
Started by lyzhu |
0 Replies
7114 Views |
December 15, 2009, 04:50:42 PM by lyzhu |
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DFT+D geometry optimization
Started by lyzhu |
5 Replies
11654 Views |
November 05, 2009, 08:36:33 PM by dlchen |
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0 Replies
6726 Views |
June 17, 2017, 10:54:02 AM by makhlaghi |
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Error in gradient step
Started by marand |
4 Replies
12971 Views |
November 17, 2016, 05:31:26 PM by christof.haettig |
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IRC calculation
Started by marcel |
0 Replies
7293 Views |
September 09, 2008, 10:28:17 PM by marcel |
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counterpoise calculation with jobBSSE
Started by marcel |
6 Replies
16352 Views |
October 06, 2016, 05:44:48 PM by christof.haettig |
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1 Replies
3026 Views |
February 04, 2024, 08:34:55 PM by flzheng525 |
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