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optimisation from hessian
Started by monika |
1 Replies
5401 Views |
January 23, 2007, 12:36:54 pmby turbomaster |
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ired forgotten?
Started by resofidentity |
1 Replies
4807 Views |
February 08, 2007, 01:50:47 pm by turbomaster |
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dummy atoms and ecp's
Started by resofidentity |
0 Replies
3839 Views |
May 21, 2007, 02:15:40 pm by resofidentity |
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2 Replies
5018 Views |
January 17, 2008, 02:30:34 pm by Kiwinator |
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2 Replies
4828 Views |
February 19, 2008, 02:39:29 pm by willows9803 |
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weird_eht_2nd
Started by Kiwinator |
2 Replies
4692 Views |
March 10, 2008, 09:27:34 am by resofidentity |
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binary mos error
Started by Daniel |
1 Replies
4480 Views |
March 19, 2008, 03:54:26 pm by Daniel |
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flip @ define
Started by chburger |
2 Replies
4156 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
4909 Views |
April 07, 2008, 10:26:25 am by Arnim |
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electric field unit
Started by patrikrydberg |
1 Replies
4798 Views |
April 15, 2008, 06:16:48 pm by christof.haettig |
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4 Replies
5558 Views |
April 15, 2008, 06:48:05 pm by sca |
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2 Replies
4673 Views |
April 15, 2008, 07:19:17 pm by FKoehler |
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DFT+D calculations
Started by bademoor |
3 Replies
9472 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
9637 Views |
April 25, 2008, 10:55:34 am by Arrepiadd |
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0 Replies
3715 Views |
June 02, 2008, 05:54:01 pm by christof.haettig |
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3 Replies
6645 Views |
June 02, 2008, 06:17:38 pm by christof.haettig |
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2 Replies
4622 Views |
June 03, 2008, 10:26:34 am by evgeniy |
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1 Replies
4967 Views |
June 16, 2008, 12:35:53 pm by christof.haettig |
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3 Replies
6637 Views |
September 25, 2008, 10:32:02 am by uwe |
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Optimization with frozen coordinates
Started by juanjo |
3 Replies
4943 Views |
November 24, 2008, 06:17:38 pm by juanjo |
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