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RI for hybrid DFT
Started by Marisa |
4 Replies
11568 Views |
October 07, 2008, 02:13:38 PMby Marisa |
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2 Replies
11109 Views |
June 26, 2007, 05:18:58 PM by uwe |
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RI-UHF error without error message
Started by JakubV |
1 Replies
4835 Views |
November 12, 2017, 09:57:12 PM by uwe |
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ridft probelm of 'actual -r'
Started by fantastic2012 |
4 Replies
12210 Views |
September 06, 2012, 04:55:33 PM by golden |
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RIDFT problem
Started by golden |
3 Replies
3892 Views |
August 17, 2020, 07:13:44 PM by golden |
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ridft+dsp problem with Curium/HOH
Started by corey.taylor |
4 Replies
5211 Views |
November 26, 2019, 11:21:07 AM by corey.taylor |
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0 Replies
5039 Views |
December 08, 2011, 12:39:52 PM by tayed |
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1 Replies
5970 Views |
May 05, 2014, 08:20:32 PM by mpjohans |
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SCF Iterations in TURBOMOLE 7.2
Started by saleheen_noman |
2 Replies
5545 Views |
May 04, 2018, 06:56:01 PM by saleheen_noman |
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3 Replies
9187 Views |
December 13, 2017, 11:07:36 AM by uwe |
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scforbitalshift
Started by keyari79 |
3 Replies
8065 Views |
January 16, 2009, 04:26:50 PM by christof.haettig |
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scratch directory in ridft
Started by Bob79 |
6 Replies
9468 Views |
August 22, 2013, 02:17:06 PM by uwe |
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Segmentation Faults Using COSMO
Started by Dempsey |
2 Replies
3883 Views |
February 18, 2022, 05:02:00 PM by Dempsey |
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2 Replies
3033 Views |
September 27, 2023, 12:41:52 AM by jcardol |
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Single Point calculation not converging
Started by krishnad |
2 Replies
7474 Views |
November 19, 2012, 06:05:59 AM by krishnad |
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single point DFT covengercy problem
Started by gjgj |
1 Replies
7282 Views |
April 14, 2009, 01:31:30 PM by Arnim |
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3 Replies
7328 Views |
October 21, 2010, 12:01:41 PM by uwe |
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0 Replies
2900 Views |
June 16, 2023, 04:30:39 PM by rusakov |
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spin-orbit problem
Started by sazabi |
4 Replies
8195 Views |
August 28, 2013, 04:33:26 PM by Hauke |
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Starting guess for Os atom
Started by ghill |
0 Replies
5426 Views |
January 06, 2011, 11:01:29 AM by ghill |
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