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optimisation from hessian
Started by monika |
1 Replies
48758 Views |
January 23, 2007, 12:36:54 PMby turbomaster |
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2 Replies
43761 Views |
January 17, 2008, 02:30:34 PM by Kiwinator |
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weird_eht_2nd
Started by Kiwinator |
1 Replies
49520 Views |
February 13, 2008, 06:41:58 AM by uwe |
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2 Replies
44653 Views |
February 19, 2008, 02:39:29 PM by willows9803 |
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binary mos error
Started by Daniel |
1 Replies
38096 Views |
March 19, 2008, 03:54:26 PM by Daniel |
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flip @ define
Started by chburger |
2 Replies
53036 Views |
March 25, 2008, 11:07:33 AM by uwe |
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On the def2-SV(P) basis sets
Started by evgeniy |
1 Replies
37411 Views |
April 07, 2008, 10:26:25 AM by Arnim |
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electric field unit
Started by patrikrydberg |
1 Replies
58641 Views |
April 15, 2008, 06:16:48 PM by christof.haettig |
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4 Replies
47875 Views |
April 15, 2008, 06:48:05 PM by sca |
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2 Replies
39282 Views |
April 15, 2008, 07:19:17 PM by FKoehler |
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DFT+D calculations
Started by bademoor |
3 Replies
48856 Views |
April 18, 2008, 12:12:17 PM by bademoor |
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Define dies with 'Too many atoms'
Started by Arrepiadd |
4 Replies
53348 Views |
April 25, 2008, 10:55:34 AM by Arrepiadd |
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0 Replies
54178 Views |
June 02, 2008, 05:54:01 PM by christof.haettig |
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3 Replies
43966 Views |
June 02, 2008, 06:17:38 PM by christof.haettig |
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2 Replies
38080 Views |
June 03, 2008, 10:26:34 AM by evgeniy |
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3 Replies
46312 Views |
September 25, 2008, 10:32:02 AM by uwe |
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Optimization with frozen coordinates
Started by juanjo |
3 Replies
41832 Views |
November 24, 2008, 06:17:38 PM by juanjo |
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Reading a weird basis set
Started by Kiwinator |
2 Replies
37109 Views |
January 08, 2009, 03:54:10 PM by Kiwinator |
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HOMO-LUMO gap
Started by sca |
0 Replies
52031 Views |
January 15, 2009, 09:05:51 PM by sca |
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setting for rimp2 caculation with ricc2
Started by YangSiYa |
3 Replies
40320 Views |
February 05, 2009, 02:22:12 PM by christof.haettig |
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