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optimisation from hessian
Started by monika |
1 Replies
14208 Views |
January 23, 2007, 12:36:54 PMby turbomaster |
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Define dies with 'Too many atoms'
Started by Arrepiadd |
4 Replies
14095 Views |
April 25, 2008, 10:55:34 AM by Arrepiadd |
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DFT+D calculations
Started by bademoor |
3 Replies
13803 Views |
April 18, 2008, 12:12:17 PM by bademoor |
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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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electric field unit
Started by patrikrydberg |
1 Replies
12909 Views |
April 15, 2008, 06:16:48 PM 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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3 Replies
11896 Views |
September 25, 2008, 10:32:02 AM by uwe |
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nonadiabatic coupling vector
Started by jzstdo |
4 Replies
11302 Views |
February 15, 2017, 03:34:43 PM by christof.haettig |
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RI-approximation in Turbomole
Started by zahra |
4 Replies
10232 Views |
March 21, 2017, 11:23:53 AM by christof.haettig |
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3 Replies
10073 Views |
June 02, 2008, 06:17:38 PM by christof.haettig |
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Re: eht for ion Rb
Started by yuniawan |
8 Replies
9836 Views |
November 02, 2015, 02:24:45 PM by yuniawan |
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4 Replies
9111 Views |
April 15, 2008, 06:48:05 PM by sca |
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2 Replies
9094 Views |
August 30, 2016, 02:11:44 PM by footballplayer |
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Cerium ECP with 46 core electrons
Started by gpetrova |
4 Replies
8874 Views |
September 27, 2010, 03:51:51 PM by gpetrova |
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2 Replies
8533 Views |
September 15, 2021, 04:42:41 PM by uwe |
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5 Replies
8470 Views |
September 10, 2018, 09:45:45 PM by uwe |
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Optimization with frozen coordinates
Started by juanjo |
3 Replies
8397 Views |
November 24, 2008, 06:17:38 PM by juanjo |
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How can i read SCF vector
Started by tayed |
6 Replies
8389 Views |
November 06, 2012, 10:59:14 AM by Sam483 |
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2 Replies
8315 Views |
January 17, 2008, 02:30:34 PM by Kiwinator |
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2 Replies
8159 Views |
February 19, 2008, 02:39:29 PM by willows9803 |
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