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Continue with optimization
Started by fgn1986 |
0 Replies
5334 Views |
May 24, 2012, 02:49:22 PMby fgn1986 |
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0 Replies
5748 Views |
December 06, 2012, 12:15:37 PM by vormar |
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MOVED: rgf not found: Geometry optimization
Started by uwe |
0 Replies
8678 Views |
June 21, 2007, 09:24:31 PM by uwe |
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0 Replies
4363 Views |
October 01, 2021, 01:06:36 AM by skundu07 |
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MOVED: Problem with Mpgrad
Started by christof.haettig |
0 Replies
10409 Views |
February 13, 2007, 03:35:12 PM by christof.haettig |
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0 Replies
7337 Views |
March 17, 2008, 01:21:51 PM by slackenerny |
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Use of fully separable ECP
Started by MarcMB |
0 Replies
5634 Views |
May 18, 2011, 09:02:16 AM by MarcMB |
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reference in define of B97-D
Started by Stefan |
0 Replies
6332 Views |
April 04, 2011, 04:46:57 AM by Stefan |
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1 Replies
11054 Views |
November 04, 2009, 05:52:22 PM by uwe |
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Metal convergence problem
Started by sdTurb |
1 Replies
7656 Views |
November 02, 2010, 11:41:19 AM by uwe |
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Help for Ex and Ec components seperately
Started by igor |
1 Replies
8082 Views |
September 22, 2008, 04:12:05 PM by uwe |
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dscf: fatal error in redrep
Started by antti_karttunen |
1 Replies
9773 Views |
May 31, 2007, 11:04:35 AM by uwe |
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single point DFT covengercy problem
Started by gjgj |
1 Replies
7650 Views |
April 14, 2009, 01:31:30 PM by Arnim |
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dscf in parallel
Started by golden |
1 Replies
6270 Views |
September 06, 2012, 04:47:15 PM by golden |
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1 Replies
6915 Views |
April 14, 2009, 01:41:03 PM by Arnim |
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1 Replies
7644 Views |
May 22, 2009, 10:30:59 AM by uwe |
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1 Replies
8516 Views |
May 06, 2008, 09:27:54 AM by cml |
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Lineraly dependent basis set problem ?
Started by grog |
1 Replies
8625 Views |
April 29, 2008, 04:11:55 PM by uwe |
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dscf - problem with 6d basis set?
Started by kulhanek |
1 Replies
7390 Views |
August 21, 2009, 09:45:11 AM by uwe |
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two component DFT calcaulation
Started by lihb734 |
1 Replies
7289 Views |
August 02, 2009, 01:09:26 PM by mpjohans |
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