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Problem with BSSE calculation at DFT level
Started by dzd |
4 Replies
8899 Views |
April 17, 2013, 09:00:25 AMby uwe |
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TM 6.3: problems with ridft (parallel)
Started by t.kerber |
4 Replies
6839 Views |
February 03, 2014, 03:13:38 PM by uwe |
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ridft probelm of 'actual -r'
Started by fantastic2012 |
4 Replies
12466 Views |
September 06, 2012, 04:55:33 PM by golden |
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4 Replies
7924 Views |
March 16, 2011, 03:12:21 PM by asaf |
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4 Replies
9944 Views |
February 18, 2013, 04:15:10 PM by uwe |
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major difference between pbe and b3-lyp
Started by foea |
4 Replies
8329 Views |
November 14, 2011, 03:06:21 PM by foea |
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RI for hybrid DFT
Started by Marisa |
4 Replies
11824 Views |
October 07, 2008, 02:13:38 PM by Marisa |
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ridft+dsp problem with Curium/HOH
Started by corey.taylor |
4 Replies
5291 Views |
November 26, 2019, 11:21:07 AM by corey.taylor |
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Unrestricted DFT in H2 Dissociation
Started by Wook |
4 Replies
7919 Views |
March 27, 2017, 02:52:24 AM by Wook |
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Questions on grid size in dft
Started by evgeniy |
5 Replies
10220 Views |
December 05, 2013, 10:10:55 AM by Arnim |
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PEECM calculation in TURBOMOLE 7.0
Started by saleheen_noman |
5 Replies
11340 Views |
October 30, 2016, 07:56:38 PM by saleheen_noman |
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eiger function not working
Started by golden |
5 Replies
8482 Views |
February 07, 2012, 08:32:23 PM by antti_karttunen |
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5 Replies
8825 Views |
January 15, 2010, 09:04:04 PM by uwe |
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5 Replies
3882 Views |
April 12, 2024, 01:12:46 AM by yannickf |
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scratch directory in ridft
Started by Bob79 |
6 Replies
9547 Views |
August 22, 2013, 02:17:06 PM by uwe |
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Memory Problem
Started by idet2 |
6 Replies
12947 Views |
November 10, 2007, 12:26:20 AM by idet2 |
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Is def2-TZVP O.K
Started by asaf |
7 Replies
16409 Views |
April 06, 2011, 07:48:09 PM by antti_karttunen |
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Wrong symmetry with desy (and energies)
Started by asaf |
14 Replies
13786 Views |
October 25, 2010, 05:48:34 PM by asaf |
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