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2 Replies
48186 Views |
April 05, 2016, 06:09:34 PMby evgeniy |
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Questions on grid size in dft
Started by evgeniy |
5 Replies
63436 Views |
December 05, 2013, 10:10:55 AM by Arnim |
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0 Replies
35743 Views |
November 22, 2013, 07:51:50 PM by evgeniy |
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DSCF $incore integer overflow
Started by f.uhlig |
0 Replies
66175 Views |
December 17, 2010, 06:02:22 PM by f.uhlig |
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ridft probelm of 'actual -r'
Started by fantastic2012 |
4 Replies
62719 Views |
September 06, 2012, 04:55:33 PM by golden |
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1 Replies
39417 Views |
May 24, 2012, 01:35:42 PM by Arnim |
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2 Replies
75226 Views |
July 01, 2020, 08:18:01 PM by farmaceut |
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Continue with optimization
Started by fgn1986 |
0 Replies
36601 Views |
May 24, 2012, 02:49:22 PM by fgn1986 |
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0 Replies
66802 Views |
March 30, 2010, 10:04:59 AM by FKoehler |
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PEEC Manual Example
Started by foea |
0 Replies
35722 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
55449 Views |
November 14, 2011, 03:06:21 PM by foea |
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5 Replies
83967 Views |
April 12, 2024, 01:12:46 AM by yannickf |
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Starting guess for Os atom
Started by ghill |
0 Replies
54388 Views |
January 06, 2011, 11:01:29 AM by ghill |
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single point DFT covengercy problem
Started by gjgj |
1 Replies
69703 Views |
April 14, 2009, 01:31:30 PM by Arnim |
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eiger function not working
Started by golden |
5 Replies
59529 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
45530 Views |
February 29, 2012, 12:47:42 AM by golden |
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dscf in parallel
Started by golden |
1 Replies
42128 Views |
September 06, 2012, 04:47:15 PM by golden |
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1 Replies
42399 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
37692 Views |
February 14, 2013, 05:43:47 AM by golden |
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RIDFT problem
Started by golden |
3 Replies
55282 Views |
August 17, 2020, 07:13:44 PM by golden |
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