| Subject / Started by | Replies  / Views |
Last post | ||
|---|---|---|---|---|
|
|
ROHF calculation with define
Started by Morbert |
1 Replies
5935 Views |
July 20, 2010, 05:52:41 PMby christof.haettig |
|
|
|
Very STRANGE error !!!
Started by evgeniy |
1 Replies
5296 Views |
July 21, 2010, 04:11:17 PM by christof.haettig |
|
|
|
Auxilary (cbas
Started by evgeniy |
1 Replies
4976 Views |
February 13, 2014, 12:06:04 PM by antti_karttunen |
|
|
|
gridsize and scfconv
Started by mboehme |
1 Replies
6397 Views |
February 14, 2013, 02:04:32 PM by Hauke |
|
|
|
how to do optimization with out symmetry
Started by golden |
1 Replies
5524 Views |
March 22, 2012, 08:05:50 AM by antti_karttunen |
|
|
|
Optimisation by frozen coordinate
Started by reza.omidyan |
1 Replies
5913 Views |
January 15, 2010, 08:19:35 AM by christof.haettig |
|
|
|
1 Replies
6113 Views |
November 24, 2009, 12:24:17 PM by christof.haettig |
|
|
|
|
setting ECPs: define vs TmoleX
Started by ekirillov |
1 Replies
7003 Views |
November 24, 2009, 10:48:02 AM by christof.haettig |
|
|
|
weird_eht_2nd
Started by Kiwinator |
1 Replies
7450 Views |
February 13, 2008, 06:41:58 AM by uwe |
|
|
|
binary mos error
Started by Daniel |
1 Replies
7376 Views |
March 19, 2008, 03:54:26 PM by Daniel |
|
|
|
Turbomole parallel error
Started by kshatresh |
1 Replies
7005 Views |
February 01, 2018, 03:56:34 PM by uwe |
|
|
|
On the def2-SV(P) basis sets
Started by evgeniy |
1 Replies
7728 Views |
April 07, 2008, 10:26:25 AM by Arnim |
|
|
|
electric field unit
Started by patrikrydberg |
1 Replies
11606 Views |
April 15, 2008, 06:16:48 PM by christof.haettig |
|
|
|
1 Replies
6835 Views |
December 07, 2011, 10:04:35 AM by flabia |
|
|
|
|
optimisation from hessian
Started by monika |
1 Replies
12907 Views |
January 23, 2007, 12:36:54 PM by turbomaster |
|
|
|
1 Replies
5132 Views |
February 16, 2015, 02:29:57 PM by uwe |
|
|
|
|
start mos without define
Started by tmartin |
1 Replies
5130 Views |
September 23, 2014, 02:08:00 PM by Arnim |
|
|
|
desy and eps units
Started by lopez |
1 Replies
5984 Views |
May 06, 2009, 09:07:55 PM by andreas |
|
|
|
Modifying basis functions
Started by jmmckel |
1 Replies
6255 Views |
May 22, 2009, 01:06:23 PM by andreas |
|
|
|
1 Replies
5256 Views |
December 04, 2011, 04:46:14 PM by evgeniy |
|
Normal Topic
Hot Topic (More than 15 replies)
Very Hot Topic (More than 25 replies)
Locked Topic
Sticky Topic