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fermi and triplet occupation
Started by moere |
1 Replies
49337 Views |
October 25, 2010, 01:10:46 PMby Arnim |
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0 Replies
40332 Views |
December 09, 2011, 02:40:12 PM by QuantumDude |
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1 Replies
41560 Views |
April 17, 2013, 01:49:54 PM by antti_karttunen |
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functional equivalent for Xonly and Xalpha
Started by golden |
0 Replies
37703 Views |
February 14, 2013, 05:43:47 AM by golden |
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Functionals
Started by 175116 |
1 Replies
48579 Views |
November 17, 2011, 03:57:42 PM by uwe |
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gradient accuracy - general question
Started by asaf |
2 Replies
64063 Views |
January 20, 2011, 02:38:08 PM by christof.haettig |
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Heavy DFT calculations
Started by evgeniy |
0 Replies
36930 Views |
January 16, 2012, 03:20:30 PM by evgeniy |
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Help for Ex and Ec components seperately
Started by igor |
1 Replies
80207 Views |
September 22, 2008, 04:12:05 PM by uwe |
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HF problems with diffuse basis set
Started by mpjohans |
3 Replies
59321 Views |
July 30, 2021, 11:47:32 AM by prasanta13 |
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0 Replies
66812 Views |
March 30, 2010, 10:04:59 AM by FKoehler |
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2 Replies
58553 Views |
May 17, 2010, 06:49:11 AM by sazabi |
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1 Replies
46211 Views |
January 27, 2014, 03:42:09 PM by uwe |
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1 Replies
44791 Views |
October 01, 2015, 11:13:13 AM by christof.haettig |
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3 Replies
69272 Views |
May 13, 2024, 04:43:58 PM by yannickf |
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0 Replies
35754 Views |
November 22, 2013, 07:51:50 PM by evgeniy |
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Is def2-TZVP O.K
Started by asaf |
7 Replies
86077 Views |
April 06, 2011, 07:48:09 PM by antti_karttunen |
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1 Replies
52482 Views |
March 27, 2025, 06:58:12 PM by uwe |
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1 Replies
42410 Views |
March 15, 2013, 05:44:04 PM by Turboooo |
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3 Replies
62615 Views |
January 11, 2009, 12:54:25 PM by christof.haettig |
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1 Replies
49979 Views |
April 14, 2009, 01:41:03 PM by Arnim |
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