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Script to run NumForce in parallel
Started by sv |
1 Replies
5767 Views |
March 11, 2010, 08:30:29 PMby Arnim |
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6 Replies
9959 Views |
April 12, 2012, 12:34:09 PM by yva82 |
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0 Replies
421 Views |
January 26, 2021, 04:07:01 PM by yva82 |
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skip gradient doesn;t work
Started by jbaltrus |
4 Replies
5599 Views |
March 17, 2012, 03:35:43 PM by jbaltrus |
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SMP version of aoforce
Started by antti_karttunen |
1 Replies
4679 Views |
January 20, 2011, 02:29:05 PM by christof.haettig |
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strange crash in aoforce
Started by scope |
2 Replies
7138 Views |
April 04, 2007, 04:25:56 PM by scope |
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0 Replies
3569 Views |
February 08, 2013, 01:25:57 AM by Hauke |
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Strange Hessian Format
Started by basklau |
0 Replies
4575 Views |
August 07, 2008, 09:30:31 AM by basklau |
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Stubborn imaginary frequency
Started by marand |
12 Replies
1019 Views |
April 14, 2021, 11:45:54 AM by marand |
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Terahertz spectroscopy
Started by yeilkim23 |
4 Replies
4231 Views |
March 21, 2017, 11:16:36 AM by christof.haettig |
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too many negative wave numbers
Started by ekirillov |
1 Replies
5033 Views |
November 13, 2009, 10:10:27 AM by uwe |
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Totally symmetric vibrations in NumForce
Started by marand |
1 Replies
3456 Views |
February 09, 2017, 11:59:34 AM by Arnim |
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TPSS calculation for vibratioanl freqency
Started by lyzhu |
2 Replies
7065 Views |
January 14, 2009, 04:38:35 PM by lyzhu |
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Unit of displacements in TURBOMOLE
Started by basklau |
7 Replies
7702 Views |
November 09, 2009, 05:47:59 PM by uwe |
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1 Replies
3664 Views |
November 17, 2016, 05:25:03 PM by christof.haettig |
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0 Replies
4212 Views |
June 07, 2011, 12:41:10 PM by martijn |
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4 Replies
4084 Views |
July 18, 2017, 07:12:25 PM by antti_karttunen |
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1 Replies
3169 Views |
October 18, 2017, 04:00:26 PM by chandra |
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Vibrational spectrum of first excited state
Started by luyj |
5 Replies
8299 Views |
January 08, 2018, 03:17:43 PM by Arnim |
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1 Replies
5080 Views |
September 09, 2008, 09:17:24 AM by antti_karttunen |
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