| Subject / Started by | Replies  / Views |
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optimisation from hessian
Started by monika |
1 Replies
14178 Views |
January 23, 2007, 12:36:54 PMby turbomaster |
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Modifying basis functions
Started by jmmckel |
1 Replies
6349 Views |
May 22, 2009, 01:06:23 PM by andreas |
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desy and eps units
Started by lopez |
1 Replies
6088 Views |
May 06, 2009, 09:07:55 PM by andreas |
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On the def2-SV(P) basis sets
Started by evgeniy |
1 Replies
7837 Views |
April 07, 2008, 10:26:25 AM by Arnim |
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start mos without define
Started by tmartin |
1 Replies
5191 Views |
September 23, 2014, 02:08:00 PM by Arnim |
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1 Replies
6901 Views |
December 07, 2011, 10:04:35 AM by flabia |
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how to do optimization with out symmetry
Started by golden |
1 Replies
5607 Views |
March 22, 2012, 08:05:50 AM by antti_karttunen |
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finding ehtdata in a local basis library
Started by jmb |
1 Replies
5949 Views |
April 06, 2011, 03:40:51 PM by uwe |
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gridsize and scfconv
Started by mboehme |
1 Replies
6485 Views |
February 14, 2013, 02:04:32 PM by Hauke |
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Using define without changing angles
Started by AndrijaG |
1 Replies
7104 Views |
October 06, 2016, 05:51:18 PM by christof.haettig |
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Auxilary (cbas
Started by evgeniy |
1 Replies
5040 Views |
February 13, 2014, 12:06:04 PM by antti_karttunen |
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weird_eht_2nd
Started by Kiwinator |
1 Replies
7529 Views |
February 13, 2008, 06:41:58 AM by uwe |
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ROHF calculation with define
Started by Morbert |
1 Replies
6043 Views |
July 20, 2010, 05:52:41 PM by christof.haettig |
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binary mos error
Started by Daniel |
1 Replies
7438 Views |
March 19, 2008, 03:54:26 PM by Daniel |
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1 Replies
5662 Views |
February 15, 2010, 10:33:01 AM by Arnim |
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Optimisation by frozen coordinate
Started by reza.omidyan |
1 Replies
6024 Views |
January 15, 2010, 08:19:35 AM by christof.haettig |
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1 Replies
6221 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
7104 Views |
November 24, 2009, 10:48:02 AM by christof.haettig |
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BmBt matrix
Started by acapobia |
0 Replies
4986 Views |
February 18, 2015, 10:07:15 AM by acapobia |
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Ion Pairing
Started by ali.raza1989 |
0 Replies
5288 Views |
August 16, 2018, 12:09:23 PM by ali.raza1989 |
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