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1 Replies
6871 Views |
December 07, 2011, 10:04:35 AMby flabia |
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gridsize and scfconv
Started by mboehme |
1 Replies
6439 Views |
February 14, 2013, 02:04:32 PM by Hauke |
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2 Replies
6640 Views |
June 13, 2018, 12:32:43 AM by martijn |
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4 Replies
7265 Views |
August 23, 2018, 12:28:46 PM by evgeniy |
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heavy atoms without ecp
Started by fru14909 |
4 Replies
7251 Views |
March 02, 2021, 12:31:33 PM by Scoops |
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3 Replies
6946 Views |
May 23, 2012, 06:44:49 PM by antti_karttunen |
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HOMO-LUMO gap
Started by sca |
0 Replies
5754 Views |
January 15, 2009, 09:05:51 PM by sca |
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4 Replies
6835 Views |
August 15, 2018, 06:15:42 PM by uwe |
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1 Replies
5586 Views |
February 15, 2010, 10:33:01 AM by Arnim |
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How can i read SCF vector
Started by tayed |
6 Replies
8327 Views |
November 06, 2012, 10:59:14 AM by Sam483 |
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0 Replies
7166 Views |
September 04, 2010, 02:28:33 PM by wuhen |
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how to assign def-ecp basis set
Started by wuhen |
2 Replies
6698 Views |
September 04, 2010, 02:20:53 PM by wuhen |
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How to comment in define input file
Started by xiang |
2 Replies
5601 Views |
March 31, 2019, 07:37:20 PM by uwe |
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0 Replies
6282 Views |
March 10, 2017, 05:09:40 PM by footballplayer |
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2 Replies
8561 Views |
August 30, 2016, 02:11:44 PM by footballplayer |
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how to do optimization with out symmetry
Started by golden |
1 Replies
5563 Views |
March 22, 2012, 08:05:50 AM by antti_karttunen |
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1 Replies
4200 Views |
October 06, 2020, 06:56:33 PM by uwe |
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0 Replies
5431 Views |
March 26, 2010, 05:58:40 PM by evgeniy |
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How to use "scanprep" script?
Started by ztehrani |
1 Replies
7354 Views |
May 16, 2017, 04:21:20 PM by Arnim |
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hydrogen bonding interaction
Started by jitmukherjeechem |
0 Replies
4793 Views |
June 02, 2012, 01:03:09 PM by jitmukherjeechem |
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