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0 Replies
4995 Views |
February 07, 2013, 07:46:13 PMby Hauke |
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anharmonic vibration
Started by aleguti1987 |
0 Replies
5225 Views |
April 24, 2013, 02:13:34 PM by aleguti1987 |
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0 Replies
4539 Views |
November 29, 2012, 04:42:09 PM by cediev87 |
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problems with NumForce for excited states
Started by smky77 |
0 Replies
7385 Views |
April 28, 2008, 04:57:01 PM by smky77 |
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SMP version of aoforce
Started by antti_karttunen |
1 Replies
6733 Views |
January 20, 2011, 02:29:05 PM by christof.haettig |
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Script to run NumForce in parallel
Started by sv |
1 Replies
7943 Views |
March 11, 2010, 08:30:29 PM by Arnim |
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raman intensities
Started by StefankMueller |
1 Replies
6875 Views |
July 07, 2011, 11:32:51 AM by uwe |
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1 Replies
6542 Views |
May 17, 2011, 10:08:08 AM by uwe |
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dipole derivatives in normal modes
Started by olga |
1 Replies
6119 Views |
January 28, 2014, 02:43:53 PM by mike |
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1 Replies
3396 Views |
March 24, 2024, 06:02:29 PM by christof.haettig |
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too many negative wave numbers
Started by ekirillov |
1 Replies
7133 Views |
November 13, 2009, 10:10:27 AM by uwe |
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B97-D not implemented for this property
Started by Gess |
1 Replies
4627 Views |
April 08, 2015, 01:25:28 PM by uwe |
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Got two imaginary vibrational modes
Started by yeilkim23 |
1 Replies
4884 Views |
March 21, 2017, 11:43:00 AM by christof.haettig |
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1 Replies
7345 Views |
September 09, 2008, 09:17:24 AM by antti_karttunen |
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Raman spectrum for excited states
Started by janwahl |
1 Replies
4755 Views |
October 01, 2015, 11:00:57 AM by christof.haettig |
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parallel NumForce no speed up
Started by basklau |
1 Replies
7322 Views |
March 27, 2009, 02:46:41 PM by christof.haettig |
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Totally symmetric vibrations in NumForce
Started by marand |
1 Replies
4941 Views |
February 09, 2017, 11:59:34 AM by Arnim |
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disable "file=vibspectrum"
Started by peiden |
1 Replies
5124 Views |
August 07, 2012, 04:04:52 PM by Arnim |
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General: Aoforce & Numforce
Started by milianb |
1 Replies
7522 Views |
July 20, 2009, 11:08:56 AM by Arnim |
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Raman intensities with MP2
Started by peiden |
1 Replies
6543 Views |
August 11, 2011, 06:06:32 PM by christof.haettig |
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