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start mos without define
Started by tmartin |
1 Replies
8394 Views |
September 23, 2014, 02:08:00 PMby Arnim |
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2 Replies
9308 Views |
July 16, 2014, 11:12:11 AM by evgeniy |
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Auxilary (cbas
Started by evgeniy |
1 Replies
8231 Views |
February 13, 2014, 12:06:04 PM by antti_karttunen |
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error in basis set library for Mn
Started by mradon |
0 Replies
8758 Views |
August 01, 2013, 11:57:47 AM by mradon |
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frozen core and full core calculations
Started by golden |
4 Replies
11282 Views |
April 06, 2013, 12:26:04 PM by Arnim |
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gridsize and scfconv
Started by mboehme |
1 Replies
9732 Views |
February 14, 2013, 02:04:32 PM by Hauke |
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0 Replies
8049 Views |
February 04, 2013, 10:34:29 AM by andy |
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The use command
Started by Sam483 |
2 Replies
9138 Views |
January 15, 2013, 12:09:47 PM by Arnim |
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How can i read SCF vector
Started by tayed |
6 Replies
12109 Views |
November 06, 2012, 10:59:14 AM by Sam483 |
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hydrogen bonding interaction
Started by jitmukherjeechem |
0 Replies
7977 Views |
June 02, 2012, 01:03:09 PM by jitmukherjeechem |
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3 Replies
10460 Views |
May 23, 2012, 06:44:49 PM by antti_karttunen |
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problem in ired
Started by jitmukherjeechem |
3 Replies
11471 Views |
May 22, 2012, 09:55:54 AM by Arnim |
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how to do optimization with out symmetry
Started by golden |
1 Replies
8776 Views |
March 22, 2012, 08:05:50 AM by antti_karttunen |
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1 Replies
10100 Views |
December 07, 2011, 10:04:35 AM by flabia |
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1 Replies
8542 Views |
December 04, 2011, 04:46:14 PM by evgeniy |
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finding ehtdata in a local basis library
Started by jmb |
1 Replies
9189 Views |
April 06, 2011, 03:40:51 PM by uwe |
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Diabatic calculation
Started by greisen |
0 Replies
7879 Views |
March 21, 2011, 03:14:35 PM by greisen |
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Up to a million dummy atoms
Started by Zessin |
3 Replies
10840 Views |
November 19, 2010, 11:08:48 AM by uwe |
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system charge
Started by wilhelm |
3 Replies
9566 Views |
November 18, 2010, 06:02:19 PM by christof.haettig |
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ired problem
Started by 175116 |
3 Replies
11434 Views |
November 06, 2010, 09:21:06 PM by 175116 |
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