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raman intensities
Started by StefankMueller |
1 Replies
6759 Views |
July 07, 2011, 11:32:51 AMby uwe |
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6 Replies
8929 Views |
July 27, 2011, 07:47:27 PM by Arnim |
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Raman intensities with MP2
Started by peiden |
1 Replies
6424 Views |
August 11, 2011, 06:06:32 PM by christof.haettig |
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20 Replies
26014 Views |
August 31, 2011, 02:37:47 PM by martijn |
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Restart Numforce (a bit complicated case)
Started by evgeniy |
0 Replies
5799 Views |
September 05, 2011, 07:11:03 PM by evgeniy |
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1 Replies
7574 Views |
October 06, 2011, 07:36:36 PM by antti_karttunen |
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include hessian in reoptimization
Started by greisen |
0 Replies
5916 Views |
October 16, 2011, 07:45:03 PM by greisen |
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skip gradient doesn;t work
Started by jbaltrus |
4 Replies
7559 Views |
March 17, 2012, 03:35:43 PM by jbaltrus |
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6 Replies
12135 Views |
April 12, 2012, 12:34:09 PM by yva82 |
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0 Replies
5594 Views |
July 10, 2012, 08:58:16 PM by jbaltrus |
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disable "file=vibspectrum"
Started by peiden |
1 Replies
5106 Views |
August 07, 2012, 04:04:52 PM by Arnim |
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0 Replies
4525 Views |
November 29, 2012, 04:42:09 PM by cediev87 |
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0 Replies
4441 Views |
December 11, 2012, 11:31:15 PM by cediev87 |
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0 Replies
4273 Views |
December 20, 2012, 07:41:20 PM by holyriver6 |
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dealing with frozen atoms
Started by jbaltrus |
0 Replies
4348 Views |
February 06, 2013, 10:20:53 AM by jbaltrus |
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0 Replies
4973 Views |
February 07, 2013, 07:46:13 PM by Hauke |
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0 Replies
4742 Views |
February 08, 2013, 01:25:57 AM by Hauke |
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4 Replies
8096 Views |
February 14, 2013, 01:56:51 AM by Hauke |
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anharmonic vibration
Started by aleguti1987 |
0 Replies
5205 Views |
April 24, 2013, 02:13:34 PM by aleguti1987 |
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Numforce MP2 for high temperatures
Started by Stegi |
2 Replies
5771 Views |
May 23, 2013, 05:03:23 PM by Stegi |
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