| Subject / Started by | Replies  / Views |
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setting ECPs: define vs TmoleX
Started by ekirillov |
1 Replies
11612 Views |
November 24, 2009, 10:48:02 AMby christof.haettig |
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ROHF calculation with define
Started by Morbert |
1 Replies
10515 Views |
July 20, 2010, 05:52:41 PM by christof.haettig |
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1 Replies
11468 Views |
December 07, 2011, 10:04:35 AM by flabia |
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Optimisation by frozen coordinate
Started by reza.omidyan |
1 Replies
10380 Views |
January 15, 2010, 08:19:35 AM by christof.haettig |
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1 Replies
10056 Views |
February 15, 2010, 10:33:01 AM by Arnim |
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Auxilary (cbas
Started by evgeniy |
1 Replies
9630 Views |
February 13, 2014, 12:06:04 PM by antti_karttunen |
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Using define without changing angles
Started by AndrijaG |
1 Replies
11489 Views |
October 06, 2016, 05:51:18 PM by christof.haettig |
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weird_eht_2nd
Started by Kiwinator |
1 Replies
12633 Views |
February 13, 2008, 06:41:58 AM by uwe |
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binary mos error
Started by Daniel |
1 Replies
12433 Views |
March 19, 2008, 03:54:26 PM by Daniel |
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finding ehtdata in a local basis library
Started by jmb |
1 Replies
10546 Views |
April 06, 2011, 03:40:51 PM by uwe |
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On the def2-SV(P) basis sets
Started by evgeniy |
1 Replies
12366 Views |
April 07, 2008, 10:26:25 AM by Arnim |
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start mos without define
Started by tmartin |
1 Replies
9762 Views |
September 23, 2014, 02:08:00 PM by Arnim |
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Turbomole parallel error
Started by kshatresh |
1 Replies
12390 Views |
February 01, 2018, 03:56:34 PM by uwe |
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Starting mos for supermolecule
Started by Robin1991 |
1 Replies
3780 Views |
December 21, 2024, 10:32:12 PM by uwe |
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1 Replies
9791 Views |
February 16, 2015, 02:29:57 PM by uwe |
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gridsize and scfconv
Started by mboehme |
1 Replies
11117 Views |
February 14, 2013, 02:04:32 PM by Hauke |
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How to use "scanprep" script?
Started by ztehrani |
1 Replies
12053 Views |
May 16, 2017, 04:21:20 PM by Arnim |
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optimisation from hessian
Started by monika |
1 Replies
20399 Views |
January 23, 2007, 12:36:54 PM by turbomaster |
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desy and eps units
Started by lopez |
1 Replies
10509 Views |
May 06, 2009, 09:07:55 PM by andreas |
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Modifying basis functions
Started by jmmckel |
1 Replies
10781 Views |
May 22, 2009, 01:06:23 PM by andreas |
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