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1 Replies
6000 Views |
October 07, 2016, 02:18:45 PMby christof.haettig |
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molecular dynamics not getting started
Started by vsharma |
1 Replies
6407 Views |
April 29, 2013, 10:34:58 AM by Arnim |
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1 Replies
7953 Views |
January 11, 2009, 12:58:30 PM by christof.haettig |
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Geometry optimization of an excited state
Started by dbk80 |
1 Replies
6564 Views |
October 12, 2016, 10:23:09 AM by dbk80 |
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1 Replies
7758 Views |
January 11, 2009, 12:17:23 PM by christof.haettig |
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1 Replies
2950 Views |
December 17, 2023, 11:18:13 PM by uwe |
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Turbomole in two different machines
Started by kmkumar |
1 Replies
6915 Views |
February 05, 2009, 03:29:58 PM by christof.haettig |
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B2-PLYP never works
Started by Arrepiadd |
1 Replies
8809 Views |
February 22, 2008, 11:15:51 AM by antti_karttunen |
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problems with jobex convcheck.f
Started by annaamat |
1 Replies
9326 Views |
March 25, 2008, 11:18:08 AM by uwe |
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Frozen Optimization
Started by lanjh |
1 Replies
7905 Views |
May 26, 2008, 11:30:25 AM by uwe |
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1 Replies
8091 Views |
July 02, 2008, 05:36:20 PM by uwe |
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1 Replies
5802 Views |
April 03, 2012, 11:54:26 AM by uwe |
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Optimization failed in excited state
Started by wuhen |
1 Replies
6125 Views |
July 22, 2011, 04:47:01 PM by amavr78 |
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1 Replies
5969 Views |
April 03, 2012, 11:49:27 AM by uwe |
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Perrhenate, ECP, B3LYP
Started by wilhelm |
1 Replies
6222 Views |
April 26, 2011, 04:23:13 PM by Arnim |
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Running PES scan in parallel with scanprep
Started by Jerry |
1 Replies
6331 Views |
September 30, 2015, 03:13:31 PM by christof.haettig |
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1 Replies
6148 Views |
February 09, 2016, 09:36:09 AM by Arnim |
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how to know the total time in MD
Started by holyriver6 |
1 Replies
5193 Views |
March 17, 2014, 01:31:47 PM by Arnim |
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using RI with hybrid functionals
Started by doguapo |
1 Replies
7664 Views |
August 06, 2010, 09:03:14 PM by uwe |
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1 Replies
6220 Views |
July 26, 2010, 12:36:21 PM by Arnim |
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