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jobex with peecm error in rdgrad step
Started by flabia |
2 Replies
6245 Views |
December 12, 2011, 09:25:09 AMby flabia |
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1 Replies
8769 Views |
September 29, 2017, 12:07:15 PM by uwe |
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0 Replies
6133 Views |
June 19, 2009, 11:21:01 AM by evgeniy |
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2 Replies
7074 Views |
October 01, 2015, 10:58:48 AM by christof.haettig |
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1 Replies
5994 Views |
April 03, 2012, 11:49:27 AM by uwe |
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0 Replies
7794 Views |
April 16, 2008, 02:19:34 PM by evgeniy |
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2 Replies
7999 Views |
May 05, 2011, 10:08:10 AM by uwe |
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12 Replies
13697 Views |
May 01, 2014, 08:55:56 PM by evgeniy |
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2 Replies
7520 Views |
October 27, 2009, 04:05:44 PM by evgeniy |
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0 Replies
6091 Views |
October 08, 2009, 06:16:38 PM by evgeniy |
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0 Replies
6090 Views |
October 05, 2009, 04:04:43 PM by evgeniy |
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3 Replies
9769 Views |
May 16, 2012, 12:38:48 PM by antti_karttunen |
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3 Replies
8289 Views |
March 26, 2019, 10:06:34 AM by uwe |
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Implicit solvation in GFN2-xTB
Started by dw1032 |
0 Replies
4939 Views |
August 31, 2020, 10:49:11 AM by dw1032 |
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using RI with hybrid functionals
Started by doguapo |
1 Replies
7742 Views |
August 06, 2010, 09:03:14 PM by uwe |
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Gradient Convergence Control
Started by Dempsey |
0 Replies
3851 Views |
April 07, 2022, 12:16:05 PM by Dempsey |
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Geometry optimization of an excited state
Started by dbk80 |
1 Replies
6591 Views |
October 12, 2016, 10:23:09 AM by dbk80 |
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1 Replies
7837 Views |
January 11, 2009, 12:17:23 PM by christof.haettig |
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Triplet state optimization
Started by Beverly |
7 Replies
12353 Views |
October 02, 2008, 01:56:06 PM by Arnim |
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Excited state optimization
Started by Beverly |
5 Replies
13410 Views |
July 24, 2010, 06:29:00 AM by jbaltrus |
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