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How can i read SCF vector
Started by tayed |
6 Replies
8389 Views |
November 06, 2012, 10:59:14 AMby Sam483 |
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4 Replies
9111 Views |
April 15, 2008, 06:48:05 PM by sca |
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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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1 Replies
4684 Views |
October 06, 2020, 06:56:33 PM by uwe |
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The use command
Started by Sam483 |
2 Replies
5780 Views |
January 15, 2013, 12:09:47 PM by Arnim |
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Turbmole define error
Started by saikat403 |
1 Replies
6524 Views |
September 20, 2019, 03:47:06 PM by uwe |
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Optimisation by frozen coordinate
Started by reza.omidyan |
1 Replies
6026 Views |
January 15, 2010, 08:19:35 AM by christof.haettig |
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EHT dimension problem
Started by Raffaele Credendino |
7 Replies
12241 Views |
November 15, 2017, 05:23:04 AM by juhidutta |
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8 Replies
4586 Views |
March 15, 2022, 09:43:35 AM by prasanta13 |
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electric field unit
Started by patrikrydberg |
1 Replies
12909 Views |
April 15, 2008, 06:16:48 PM by christof.haettig |
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4 Replies
7343 Views |
August 15, 2018, 06:15:42 PM by uwe |
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error in basis set library for Mn
Started by mradon |
0 Replies
5676 Views |
August 01, 2013, 11:57:47 AM by mradon |
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ROHF calculation with define
Started by Morbert |
1 Replies
6049 Views |
July 20, 2010, 05:52:41 PM by christof.haettig |
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optimisation from hessian
Started by monika |
1 Replies
14208 Views |
January 23, 2007, 12:36:54 PM by turbomaster |
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Ired crashes define
Started by Michael_Patzschke |
2 Replies
3490 Views |
October 12, 2023, 06:57:32 AM by Michael_Patzschke |
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gridsize and scfconv
Started by mboehme |
1 Replies
6487 Views |
February 14, 2013, 02:04:32 PM by Hauke |
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2 Replies
7149 Views |
June 13, 2018, 12:32:43 AM by martijn |
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1 Replies
6222 Views |
November 24, 2009, 12:24:17 PM by christof.haettig |
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desy and eps units
Started by lopez |
1 Replies
6088 Views |
May 06, 2009, 09:07:55 PM by andreas |
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User-defined functionals
Started by lien.bentein |
5 Replies
13309 Views |
August 04, 2009, 10:23:53 AM by uwe |
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