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2 Replies
9149 Views |
August 30, 2016, 02:11:44 PMby footballplayer |
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0 Replies
6835 Views |
March 10, 2017, 05:09:40 PM by footballplayer |
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How to comment in define input file
Started by xiang |
2 Replies
6126 Views |
March 31, 2019, 07:37:20 PM by uwe |
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how to assign def-ecp basis set
Started by wuhen |
2 Replies
6821 Views |
September 04, 2010, 02:20:53 PM by wuhen |
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0 Replies
7282 Views |
September 04, 2010, 02:28:33 PM by wuhen |
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How can i read SCF vector
Started by tayed |
6 Replies
8420 Views |
November 06, 2012, 10:59:14 AM by Sam483 |
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1 Replies
5685 Views |
February 15, 2010, 10:33:01 AM by Arnim |
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4 Replies
7394 Views |
August 15, 2018, 06:15:42 PM by uwe |
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HOMO-LUMO gap
Started by sca |
0 Replies
5860 Views |
January 15, 2009, 09:05:51 PM by sca |
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3 Replies
7021 Views |
May 23, 2012, 06:44:49 PM by antti_karttunen |
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heavy atoms without ecp
Started by fru14909 |
4 Replies
7367 Views |
March 02, 2021, 12:31:33 PM by Scoops |
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4 Replies
7815 Views |
August 23, 2018, 12:28:46 PM by evgeniy |
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2 Replies
7204 Views |
June 13, 2018, 12:32:43 AM by martijn |
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gridsize and scfconv
Started by mboehme |
1 Replies
6517 Views |
February 14, 2013, 02:04:32 PM by Hauke |
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1 Replies
6934 Views |
December 07, 2011, 10:04:35 AM by flabia |
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frozen core and full core calculations
Started by golden |
4 Replies
7851 Views |
April 06, 2013, 12:26:04 PM by Arnim |
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Fragment Multiplicity
Started by Ian K |
0 Replies
5394 Views |
August 17, 2010, 10:21:44 PM by Ian K |
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flip @ define
Started by chburger |
2 Replies
7378 Views |
March 25, 2008, 11:07:33 AM by uwe |
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finding ehtdata in a local basis library
Started by jmb |
1 Replies
5986 Views |
April 06, 2011, 03:40:51 PM by uwe |
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2 Replies
3746 Views |
March 13, 2022, 12:13:27 PM by uwe |
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