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single point DFT covengercy problem
Started by gjgj |
1 Replies
7286 Views |
April 14, 2009, 01:31:30 PMby Arnim |
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!! WARNING: HOMO-LUMO Gap is negativ !!
Started by martijn |
1 Replies
8433 Views |
January 28, 2009, 05:19:54 PM by uwe |
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scforbitalshift
Started by keyari79 |
3 Replies
8070 Views |
January 16, 2009, 04:26:50 PM by christof.haettig |
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3 Replies
8722 Views |
January 11, 2009, 12:54:25 PM by christof.haettig |
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RI for hybrid DFT
Started by Marisa |
4 Replies
11575 Views |
October 07, 2008, 02:13:38 PM by Marisa |
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Help for Ex and Ec components seperately
Started by igor |
1 Replies
7719 Views |
September 22, 2008, 04:12:05 PM by uwe |
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4 Replies
10133 Views |
August 07, 2008, 12:22:29 AM by christof.haettig |
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1 Replies
8151 Views |
May 06, 2008, 09:27:54 AM by cml |
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Lineraly dependent basis set problem ?
Started by grog |
1 Replies
8263 Views |
April 29, 2008, 04:11:55 PM by uwe |
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0 Replies
6979 Views |
March 17, 2008, 01:21:51 PM by slackenerny |
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Memory Problem
Started by idet2 |
6 Replies
12681 Views |
November 10, 2007, 12:26:20 AM by idet2 |
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4 Replies
10619 Views |
September 23, 2007, 03:05:12 PM by antti_karttunen |
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2 Replies
11118 Views |
June 26, 2007, 05:18:58 PM by uwe |
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MOVED: rgf not found: Geometry optimization
Started by uwe |
0 Replies
8227 Views |
June 21, 2007, 09:24:31 PM by uwe |
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dscf: fatal error in redrep
Started by antti_karttunen |
1 Replies
9312 Views |
May 31, 2007, 11:04:35 AM by uwe |
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dscf ended abnormally - use higher ndi19 !
Started by monika |
1 Replies
11525 Views |
March 23, 2007, 02:17:27 PM by uwe |
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MOVED: Problem with Mpgrad
Started by christof.haettig |
0 Replies
9970 Views |
February 13, 2007, 03:35:12 PM by christof.haettig |
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