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Continue with optimization
Started by fgn1986 |
0 Replies
5006 Views |
May 24, 2012, 02:49:22 PMby fgn1986 |
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0 Replies
7876 Views |
March 30, 2010, 10:04:59 AM by FKoehler |
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PEEC Manual Example
Started by foea |
0 Replies
5779 Views |
January 25, 2012, 10:22:32 AM by foea |
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major difference between pbe and b3-lyp
Started by foea |
4 Replies
8117 Views |
November 14, 2011, 03:06:21 PM by foea |
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5 Replies
3466 Views |
April 12, 2024, 01:12:46 AM by yannickf |
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Starting guess for Os atom
Started by ghill |
0 Replies
5460 Views |
January 06, 2011, 11:01:29 AM by ghill |
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single point DFT covengercy problem
Started by gjgj |
1 Replies
7318 Views |
April 14, 2009, 01:31:30 PM by Arnim |
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1 Replies
6904 Views |
January 27, 2014, 03:42:09 PM by uwe |
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eiger function not working
Started by golden |
5 Replies
8267 Views |
February 07, 2012, 08:32:23 PM by antti_karttunen |
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can dos calculations run on parallel
Started by golden |
2 Replies
6149 Views |
February 29, 2012, 12:47:42 AM by golden |
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dscf in parallel
Started by golden |
1 Replies
5938 Views |
September 06, 2012, 04:47:15 PM by golden |
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1 Replies
6647 Views |
March 15, 2013, 05:44:04 PM by Turboooo |
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functional equivalent for Xonly and Xalpha
Started by golden |
0 Replies
5586 Views |
February 14, 2013, 05:43:47 AM by golden |
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RIDFT problem
Started by golden |
3 Replies
3904 Views |
August 17, 2020, 07:13:44 PM by golden |
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Lineraly dependent basis set problem ?
Started by grog |
1 Replies
8294 Views |
April 29, 2008, 04:11:55 PM by uwe |
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4 Replies
9732 Views |
February 18, 2013, 04:15:10 PM by uwe |
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1 Replies
5683 Views |
October 14, 2011, 10:08:23 AM by andreas |
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Parallel rdgrad with point charges
Started by hmsenn |
2 Replies
6706 Views |
March 02, 2015, 05:52:53 PM by mpjohans |
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Memory Problem
Started by idet2 |
6 Replies
12716 Views |
November 10, 2007, 12:26:20 AM by idet2 |
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Help for Ex and Ec components seperately
Started by igor |
1 Replies
7751 Views |
September 22, 2008, 04:12:05 PM by uwe |
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