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How to comment in define input file
Started by xiang |
2 Replies
6073 Views |
March 31, 2019, 07:37:20 PMby uwe |
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ROHF calculation with define
Started by Morbert |
1 Replies
6054 Views |
July 20, 2010, 05:52:41 PM by christof.haettig |
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CAM-B3LYP IN TURBOMOLE 7.0
Started by inozerox |
2 Replies
6050 Views |
October 07, 2015, 08:09:15 PM by inozerox |
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Optimisation by frozen coordinate
Started by reza.omidyan |
1 Replies
6027 Views |
January 15, 2010, 08:19:35 AM by christof.haettig |
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2 Replies
5957 Views |
July 16, 2014, 11:12:11 AM by evgeniy |
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finding ehtdata in a local basis library
Started by jmb |
1 Replies
5957 Views |
April 06, 2011, 03:40:51 PM by uwe |
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HOMO-LUMO gap
Started by sca |
0 Replies
5838 Views |
January 15, 2009, 09:05:51 PM by sca |
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The use command
Started by Sam483 |
2 Replies
5784 Views |
January 15, 2013, 12:09:47 PM by Arnim |
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error in basis set library for Mn
Started by mradon |
0 Replies
5677 Views |
August 01, 2013, 11:57:47 AM by mradon |
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1 Replies
5665 Views |
February 15, 2010, 10:33:01 AM by Arnim |
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how to do optimization with out symmetry
Started by golden |
1 Replies
5618 Views |
March 22, 2012, 08:05:50 AM by antti_karttunen |
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0 Replies
5515 Views |
March 26, 2010, 05:58:40 PM by evgeniy |
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0 Replies
5447 Views |
August 20, 2018, 02:03:21 PM by evgeniy |
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Very STRANGE error !!!
Started by evgeniy |
1 Replies
5411 Views |
July 21, 2010, 04:11:17 PM by christof.haettig |
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Fragment Multiplicity
Started by Ian K |
0 Replies
5369 Views |
August 17, 2010, 10:21:44 PM by Ian K |
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1 Replies
5325 Views |
December 04, 2011, 04:46:14 PM by evgeniy |
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Ion Pairing
Started by ali.raza1989 |
0 Replies
5321 Views |
August 16, 2018, 12:09:23 PM by ali.raza1989 |
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1 Replies
5216 Views |
February 16, 2015, 02:29:57 PM by uwe |
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start mos without define
Started by tmartin |
1 Replies
5193 Views |
September 23, 2014, 02:08:00 PM by Arnim |
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Auxilary (cbas
Started by evgeniy |
1 Replies
5042 Views |
February 13, 2014, 12:06:04 PM by antti_karttunen |
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