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Totally symmetric vibrations in NumForce
Started by marand |
1 Replies
4934 Views |
February 09, 2017, 11:59:34 AMby Arnim |
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Stubborn imaginary frequency
Started by marand |
12 Replies
6279 Views |
April 14, 2021, 11:45:54 AM by marand |
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TPSS calculation for vibratioanl freqency
Started by lyzhu |
2 Replies
9209 Views |
January 14, 2009, 04:38:35 PM by lyzhu |
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Vibrational spectrum of first excited state
Started by luyj |
5 Replies
12495 Views |
January 08, 2018, 03:17:43 PM by Arnim |
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1 Replies
6215 Views |
July 20, 2010, 06:02:28 PM by christof.haettig |
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2 Replies
7937 Views |
March 15, 2010, 01:56:21 PM by lasermichel |
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aoforce and lh14t-calpbe
Started by KrisR |
0 Replies
2852 Views |
April 13, 2023, 02:15:14 PM by KrisR |
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Problem in obtaining hessian file
Started by kmkumar |
3 Replies
8876 Views |
December 21, 2007, 06:23:57 PM by vvallet |
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Difference between aoforce and NumForce
Started by kkyyllee |
4 Replies
8745 Views |
August 26, 2016, 04:02:44 PM by kkyyllee |
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Screwer
Started by Kbassyouni |
3 Replies
5437 Views |
September 14, 2015, 11:03:56 AM by Kbassyouni |
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5 Replies
10781 Views |
July 21, 2016, 12:32:05 PM by mpjohans |
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0 Replies
4494 Views |
May 30, 2017, 12:06:19 PM by Jerry |
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skip gradient doesn;t work
Started by jbaltrus |
4 Replies
7616 Views |
March 17, 2012, 03:35:43 PM by jbaltrus |
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0 Replies
5651 Views |
July 10, 2012, 08:58:16 PM by jbaltrus |
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dealing with frozen atoms
Started by jbaltrus |
0 Replies
4357 Views |
February 06, 2013, 10:20:53 AM by jbaltrus |
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HESSIAN for guess
Started by jbaltrus |
0 Replies
6316 Views |
June 06, 2009, 04:15:39 AM by jbaltrus |
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parallel aoforce 6.3.1
Started by jbaltrus |
3 Replies
7280 Views |
June 28, 2011, 01:01:36 PM by Arnim |
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Raman spectrum for excited states
Started by janwahl |
1 Replies
4747 Views |
October 01, 2015, 11:00:57 AM by christof.haettig |
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8 Replies
14087 Views |
June 28, 2017, 01:06:19 AM by JakubV |
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aoforce scratch files
Started by jaime |
2 Replies
8020 Views |
July 10, 2008, 10:56:34 PM by christof.haettig |
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