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Getting rid of imaginary frequencies
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Pfister
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13
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840
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August 20, 2010, 09:25:50 AM
by uwe
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numforce for excited states with lowest eigenvalue search
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lihb734
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1
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157
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July 20, 2010, 05:02:28 PM
by christof.haettig
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Screwer
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Beverly
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6
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1820
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May 10, 2010, 10:05:21 AM
by uwe
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Reading in hessian but with isotopic substitution
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mike
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2
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340
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April 09, 2010, 02:27:44 PM
by mike
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problem with NumForce turbomole version 6.0
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lasermichel
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2
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443
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March 15, 2010, 01:56:21 PM
by lasermichel
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Script to run NumForce in parallel
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sv
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1
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326
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March 11, 2010, 08:30:29 PM
by Arnim
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core-dump with aforce, TURBOMOLE v.6.0
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sassy
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4
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1001
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December 22, 2009, 05:06:44 PM
by uwe
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too many negative wave numbers
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ekirillov
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1
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609
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November 13, 2009, 10:10:27 AM
by uwe
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Unit of displacements in TURBOMOLE
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basklau
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7
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825
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November 09, 2009, 05:47:59 PM
by uwe
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Problems in NumForce: "STOP NumForce: There was a problem with point xm01 !"
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evgeniy
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6
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1014
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October 11, 2009, 10:36:04 AM
by evgeniy
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derivative of transition dipole with respect to the normal modes
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basklau
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1
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581
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October 07, 2009, 05:04:11 PM
by christof.haettig
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General: Aoforce & Numforce
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milianb
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1
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1139
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July 20, 2009, 10:08:56 AM
by Arnim
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aoforce produces segmentations fault
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basklau
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5
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1298
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June 18, 2009, 02:55:48 PM
by basklau
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DFT-D frequency calculations with aoforce or numforce
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Stefan
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4
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1965
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June 08, 2009, 08:44:24 AM
by uwe
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HESSIAN for guess
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jbaltrus
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0
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571
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June 06, 2009, 03:15:39 AM
by jbaltrus
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aoforce parallelized?
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matteo
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3
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1621
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April 06, 2009, 11:54:39 PM
by matteo
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parallel NumForce no speed up
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basklau
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1
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1172
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March 27, 2009, 02:46:41 PM
by christof.haettig
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another problem with parallel NumForce 5.10
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Pfister
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13
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3407
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February 27, 2009, 10:48:47 AM
by uwe
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second derivatives with electrostatic pointcharges
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Futera
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5
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1969
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February 05, 2009, 03:52:28 PM
by christof.haettig
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TPSS calculation for vibratioanl freqency
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lyzhu
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2
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1243
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January 14, 2009, 04:38:35 PM
by lyzhu
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