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ROHF calculation with define
Started by Morbert |
1 Replies
5960 Views |
July 20, 2010, 05:52:41 PMby christof.haettig |
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Very STRANGE error !!!
Started by evgeniy |
1 Replies
5323 Views |
July 21, 2010, 04:11:17 PM by christof.haettig |
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Auxilary (cbas
Started by evgeniy |
1 Replies
5010 Views |
February 13, 2014, 12:06:04 PM by antti_karttunen |
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gridsize and scfconv
Started by mboehme |
1 Replies
6441 Views |
February 14, 2013, 02:04:32 PM by Hauke |
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how to do optimization with out symmetry
Started by golden |
1 Replies
5565 Views |
March 22, 2012, 08:05:50 AM by antti_karttunen |
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Optimisation by frozen coordinate
Started by reza.omidyan |
1 Replies
5940 Views |
January 15, 2010, 08:19:35 AM by christof.haettig |
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1 Replies
6146 Views |
November 24, 2009, 12:24:17 PM by christof.haettig |
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setting ECPs: define vs TmoleX
Started by ekirillov |
1 Replies
7027 Views |
November 24, 2009, 10:48:02 AM by christof.haettig |
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weird_eht_2nd
Started by Kiwinator |
1 Replies
7482 Views |
February 13, 2008, 06:41:58 AM by uwe |
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binary mos error
Started by Daniel |
1 Replies
7398 Views |
March 19, 2008, 03:54:26 PM by Daniel |
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Turbomole parallel error
Started by kshatresh |
1 Replies
7386 Views |
February 01, 2018, 03:56:34 PM by uwe |
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On the def2-SV(P) basis sets
Started by evgeniy |
1 Replies
7755 Views |
April 07, 2008, 10:26:25 AM by Arnim |
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electric field unit
Started by patrikrydberg |
1 Replies
12346 Views |
April 15, 2008, 06:16:48 PM by christof.haettig |
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1 Replies
6873 Views |
December 07, 2011, 10:04:35 AM by flabia |
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optimisation from hessian
Started by monika |
1 Replies
13648 Views |
January 23, 2007, 12:36:54 PM by turbomaster |
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1 Replies
5181 Views |
February 16, 2015, 02:29:57 PM by uwe |
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start mos without define
Started by tmartin |
1 Replies
5172 Views |
September 23, 2014, 02:08:00 PM by Arnim |
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desy and eps units
Started by lopez |
1 Replies
6014 Views |
May 06, 2009, 09:07:55 PM by andreas |
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Modifying basis functions
Started by jmmckel |
1 Replies
6279 Views |
May 22, 2009, 01:06:23 PM by andreas |
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1 Replies
5293 Views |
December 04, 2011, 04:46:14 PM by evgeniy |
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