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two component DFT calcaulation
Started by lihb734 |
1 Replies
75225 Views |
August 02, 2009, 01:09:26 PMby mpjohans |
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dscf - problem with 6d basis set?
Started by kulhanek |
1 Replies
44303 Views |
August 21, 2009, 09:45:11 AM by uwe |
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Test ridft
Started by wojek |
3 Replies
55402 Views |
August 21, 2009, 09:48:01 AM by uwe |
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1 Replies
49307 Views |
November 04, 2009, 05:52:22 PM by uwe |
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5 Replies
68506 Views |
January 15, 2010, 09:04:04 PM by uwe |
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0 Replies
38471 Views |
March 19, 2010, 05:44:08 AM by ylniu |
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0 Replies
62311 Views |
March 30, 2010, 10:04:59 AM by FKoehler |
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total density
Started by muyajt |
0 Replies
55924 Views |
April 14, 2010, 05:04:34 PM by muyajt |
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2 Replies
52846 Views |
May 17, 2010, 06:49:11 AM by sazabi |
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point charges and symmetry
Started by olehtone |
1 Replies
43418 Views |
May 19, 2010, 05:15:06 PM by uwe |
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2 Replies
48577 Views |
July 20, 2010, 05:39:42 PM by christof.haettig |
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3 Replies
54348 Views |
October 21, 2010, 12:01:41 PM by uwe |
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fermi and triplet occupation
Started by moere |
1 Replies
44365 Views |
October 25, 2010, 01:10:46 PM by Arnim |
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Wrong symmetry with desy (and energies)
Started by asaf |
14 Replies
128282 Views |
October 25, 2010, 05:48:34 PM by asaf |
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Metal convergence problem
Started by sdTurb |
1 Replies
47253 Views |
November 02, 2010, 11:41:19 AM by uwe |
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DSCF $incore integer overflow
Started by f.uhlig |
0 Replies
61529 Views |
December 17, 2010, 06:02:22 PM by f.uhlig |
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0 Replies
52725 Views |
December 26, 2010, 11:55:06 AM by asaf |
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Starting guess for Os atom
Started by ghill |
0 Replies
49751 Views |
January 06, 2011, 11:01:29 AM by ghill |
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gradient accuracy - general question
Started by asaf |
2 Replies
59337 Views |
January 20, 2011, 02:38:08 PM by christof.haettig |
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4 Replies
55073 Views |
March 16, 2011, 03:12:21 PM by asaf |
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