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dipole derivatives in normal modes
Started by olga |
1 Replies
6276 Views |
January 28, 2014, 02:43:53 PMby mike |
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include hessian in reoptimization
Started by greisen |
0 Replies
6360 Views |
October 16, 2011, 07:45:03 PM by greisen |
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0 Replies
6516 Views |
June 07, 2011, 12:41:10 PM by martijn |
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1 Replies
6600 Views |
July 20, 2010, 06:02:28 PM by christof.haettig |
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HESSIAN for guess
Started by jbaltrus |
0 Replies
6700 Views |
June 06, 2009, 04:15:39 AM by jbaltrus |
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Stubborn imaginary frequency
Started by marand |
12 Replies
6824 Views |
April 14, 2021, 11:45:54 AM by marand |
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1 Replies
6881 Views |
May 17, 2011, 10:08:08 AM by uwe |
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Raman intensities with MP2
Started by peiden |
1 Replies
6886 Views |
August 11, 2011, 06:06:32 PM by christof.haettig |
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Numforce results in zero hessian
Started by Alex_V |
2 Replies
7018 Views |
January 02, 2014, 01:50:05 PM by Arnim |
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Restarting frequency
Started by surajit |
2 Replies
7046 Views |
December 15, 2015, 11:51:11 PM by christof.haettig |
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SMP version of aoforce
Started by antti_karttunen |
1 Replies
7059 Views |
January 20, 2011, 02:29:05 PM by christof.haettig |
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Strange Hessian Format
Started by basklau |
0 Replies
7066 Views |
August 07, 2008, 09:30:31 AM by basklau |
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2 Replies
7177 Views |
January 28, 2014, 02:46:14 PM by mike |
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1 Replies
7199 Views |
October 18, 2017, 04:00:26 PM by chandra |
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raman intensities
Started by StefankMueller |
1 Replies
7212 Views |
July 07, 2011, 11:32:51 AM by uwe |
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0 Replies
7341 Views |
October 30, 2008, 03:58:40 PM by twoo@uottawa.ca |
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too many negative wave numbers
Started by ekirillov |
1 Replies
7466 Views |
November 13, 2009, 10:10:27 AM by uwe |
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parallel NumForce no speed up
Started by basklau |
1 Replies
7656 Views |
March 27, 2009, 02:46:41 PM by christof.haettig |
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parallel aoforce 6.3.1
Started by jbaltrus |
3 Replies
7667 Views |
June 28, 2011, 01:01:36 PM by Arnim |
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1 Replies
7675 Views |
September 09, 2008, 09:17:24 AM by antti_karttunen |
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