Subject / Started by | Replies / Views | Last post | ||
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1e Integrals
Started by barbatti |
1 Replies
6371 Views |
September 07, 2013, 06:50:27 PM by uwe |
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Printing out two electron integrals
Started by MarcMB |
1 Replies
6390 Views |
August 11, 2011, 06:13:17 PM by christof.haettig |
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can dos calculations run on parallel
Started by golden |
2 Replies
6423 Views |
February 29, 2012, 12:47:42 AM by golden |
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0 Replies
6468 Views |
March 19, 2010, 05:44:08 AM by ylniu |
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Pointcharges problem
Started by basklau |
2 Replies
6471 Views |
March 05, 2012, 04:15:59 PM by basklau |
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negative homo-lumo gap
Started by bnikoobakht |
0 Replies
6479 Views |
January 08, 2013, 03:07:19 PM by bnikoobakht |
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fatal error in moredu
Started by Danylo |
1 Replies
6505 Views |
May 31, 2011, 11:03:42 AM by uwe |
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problem in ridft
Started by surajit |
2 Replies
6719 Views |
November 20, 2014, 12:27:49 PM by surajit |
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Parallel rdgrad with point charges
Started by hmsenn |
2 Replies
6778 Views |
March 02, 2015, 05:52:53 PM by mpjohans |
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1 Replies
6805 Views |
October 01, 2015, 11:13:13 AM by christof.haettig |
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PEECM-RIDFT Ended Abnormally
Started by naustin1 |
1 Replies
6847 Views |
June 18, 2015, 12:12:56 PM by Arnim |
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2 Replies
6860 Views |
September 22, 2016, 12:51:08 PM by marand |
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1 Replies
6867 Views |
April 14, 2009, 01:41:03 PM by Arnim |
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TM 6.3: problems with ridft (parallel)
Started by t.kerber |
4 Replies
6867 Views |
February 03, 2014, 03:13:38 PM by uwe |
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total density
Started by muyajt |
0 Replies
6872 Views |
April 14, 2010, 05:04:34 PM by muyajt |
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1 Replies
6916 Views |
March 15, 2013, 05:44:04 PM by Turboooo |
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ERROR in dscf step
Started by Mik |
2 Replies
6943 Views |
October 14, 2011, 06:24:28 PM by Mik |
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2 Replies
6957 Views |
April 13, 2011, 08:04:14 AM by antti_karttunen |
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1 Replies
6975 Views |
January 27, 2014, 03:42:09 PM by uwe |
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gradient accuracy - general question
Started by asaf |
2 Replies
7021 Views |
January 20, 2011, 02:38:08 PM by christof.haettig |
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