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Lineraly dependent basis set problem ?
Started by grog |
1 Replies
8727 Views |
April 29, 2008, 04:11:55 PMby uwe |
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Localized Hartree-Fock / Localized DFT?
Started by JakubV |
3 Replies
5010 Views |
March 03, 2022, 11:25:09 AM by Arnim |
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major difference between pbe and b3-lyp
Started by foea |
4 Replies
8552 Views |
November 14, 2011, 03:06:21 PM by foea |
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Manualy define DFT-D4 ($disp4) parameters
Started by mradon |
2 Replies
4465 Views |
May 16, 2022, 12:30:38 PM by mradon |
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Memory Problem
Started by idet2 |
6 Replies
13197 Views |
November 10, 2007, 12:26:20 AM by idet2 |
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Metal convergence problem
Started by sdTurb |
1 Replies
7764 Views |
November 02, 2010, 11:41:19 AM by uwe |
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MOVED: Problem with Mpgrad
Started by christof.haettig |
0 Replies
10523 Views |
February 13, 2007, 03:35:12 PM by christof.haettig |
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MOVED: rgf not found: Geometry optimization
Started by uwe |
0 Replies
8803 Views |
June 21, 2007, 09:24:31 PM by uwe |
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2 Replies
7822 Views |
July 20, 2010, 05:39:42 PM by christof.haettig |
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negative homo-lumo gap
Started by bnikoobakht |
0 Replies
6635 Views |
January 08, 2013, 03:07:19 PM by bnikoobakht |
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4 Replies
11194 Views |
September 23, 2007, 03:05:12 PM by antti_karttunen |
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2 Replies
4442 Views |
March 08, 2022, 05:40:47 AM by prasanta13 |
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odft output
Started by pazzik |
0 Replies
5194 Views |
October 07, 2014, 04:49:19 PM by pazzik |
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Parallel rdgrad with point charges
Started by hmsenn |
2 Replies
6854 Views |
March 02, 2015, 05:52:53 PM by mpjohans |
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1 Replies
6267 Views |
May 24, 2012, 01:35:42 PM by Arnim |
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PEEC Manual Example
Started by foea |
0 Replies
6205 Views |
January 25, 2012, 10:22:32 AM by foea |
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PEECM calculation in TURBOMOLE 7.0
Started by saleheen_noman |
5 Replies
11604 Views |
October 30, 2016, 07:56:38 PM by saleheen_noman |
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0 Replies
4219 Views |
December 15, 2021, 12:19:56 AM by dsahsah |
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0 Replies
5818 Views |
December 26, 2010, 11:55:06 AM by asaf |
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0 Replies
4458 Views |
October 01, 2021, 01:06:36 AM by skundu07 |
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