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1 Replies
6113 Views |
November 24, 2009, 12:24:17 PMby christof.haettig |
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No cc-pVDZ-PP auxiliary basis for Iridium
Started by evgeniy |
0 Replies
6176 Views |
June 01, 2017, 01:46:39 PM by evgeniy |
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system charge
Started by wilhelm |
3 Replies
6194 Views |
November 18, 2010, 06:02:19 PM by christof.haettig |
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Using define without changing angles
Started by AndrijaG |
1 Replies
6240 Views |
October 06, 2016, 05:51:18 PM by christof.haettig |
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Modifying basis functions
Started by jmmckel |
1 Replies
6255 Views |
May 22, 2009, 01:06:23 PM by andreas |
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2 Replies
6259 Views |
June 13, 2018, 12:32:43 AM by martijn |
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Cant change stretch value
Started by janwahl |
2 Replies
6289 Views |
October 12, 2009, 11:59:47 AM by uwe |
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0 Replies
6363 Views |
June 02, 2008, 05:54:01 PM by christof.haettig |
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gridsize and scfconv
Started by mboehme |
1 Replies
6397 Views |
February 14, 2013, 02:04:32 PM by Hauke |
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4 Replies
6446 Views |
August 15, 2018, 06:15:42 PM by uwe |
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B-p86 functional in Turbomole
Started by zahra |
2 Replies
6523 Views |
February 17, 2017, 12:15:23 PM by zahra |
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1 Replies
6570 Views |
January 18, 2019, 05:26:31 PM by uwe |
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how to assign def-ecp basis set
Started by wuhen |
2 Replies
6672 Views |
September 04, 2010, 02:20:53 PM by wuhen |
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1 Replies
6831 Views |
December 07, 2011, 10:04:35 AM by flabia |
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4 Replies
6870 Views |
August 23, 2018, 12:28:46 PM by evgeniy |
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3 Replies
6904 Views |
May 23, 2012, 06:44:49 PM by antti_karttunen |
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2 Replies
6956 Views |
April 09, 2016, 11:18:00 AM by inozerox |
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How to use "scanprep" script?
Started by ztehrani |
1 Replies
6974 Views |
May 16, 2017, 04:21:20 PM by Arnim |
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Turbomole parallel error
Started by kshatresh |
1 Replies
6988 Views |
February 01, 2018, 03:56:34 PM by uwe |
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setting ECPs: define vs TmoleX
Started by ekirillov |
1 Replies
7002 Views |
November 24, 2009, 10:48:02 AM by christof.haettig |
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