Subject / Started by | Replies / Views | Last post | ||
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Getting rid of imaginary frequencies
Started by Pfister |
14 Replies
25039 Views |
February 22, 2011, 10:16:40 PM by doguapo |
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20 Replies
24166 Views |
August 31, 2011, 02:37:47 PM by martijn |
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6 Replies
15131 Views |
May 10, 2010, 11:05:21 AM by uwe |
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8 Replies
13338 Views |
January 22, 2016, 11:38:43 AM by Glxblt76 |
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8 Replies
12821 Views |
February 23, 2020, 03:01:39 PM by uwe |
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NumForce and symmetry
Started by onthefly |
6 Replies
12653 Views |
May 20, 2015, 06:05:06 PM by Hauke |
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8 Replies
12605 Views |
June 28, 2017, 01:06:19 AM by JakubV |
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6 Replies
12415 Views |
March 19, 2008, 07:39:55 PM by Arrepiadd |
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5 Replies
11634 Views |
September 01, 2016, 03:02:37 PM by mpjohans |
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[SOLVED] Run numforce in SMP machine
Started by Glxblt76 |
7 Replies
11562 Views |
November 20, 2015, 03:58:31 PM by christof.haettig |
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6 Replies
11263 Views |
April 12, 2012, 12:34:09 PM by yva82 |
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Vibrational spectrum of first excited state
Started by luyj |
5 Replies
11120 Views |
January 08, 2018, 03:17:43 PM by Arnim |
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frequency analysis internal coordinates
Started by acapobia |
6 Replies
10975 Views |
October 16, 2008, 11:26:16 AM by uwe |
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5 Replies
10514 Views |
July 21, 2016, 12:32:05 PM by mpjohans |
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How to run aoforce in parallel?
Started by Tiuri |
3 Replies
9957 Views |
May 10, 2007, 11:13:31 PM by turbomaster |
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6 Replies
9955 Views |
October 11, 2009, 11:36:04 AM by evgeniy |
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Hybrid RI-DFT and aoforce
Started by antti_karttunen |
3 Replies
9836 Views |
February 19, 2014, 10:46:19 PM by uwe |
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strange crash in aoforce
Started by scope |
2 Replies
9254 Views |
April 04, 2007, 04:25:56 PM by scope |
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Unit of displacements in TURBOMOLE
Started by basklau |
7 Replies
9152 Views |
November 09, 2009, 05:47:59 PM by uwe |
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3 Replies
8865 Views |
March 23, 2007, 10:17:35 AM by Stephan |
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