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Geometry optimization with "jobex" fails during the relaxation step [SOLVED]
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matteo
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16
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15662
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September 14, 2011, 10:51:06 AM
by janwahl
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construction of auxiliary basis for RI-J calculations
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jmb
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3
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1408
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August 12, 2011, 03:16:17 PM
by christof.haettig
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How to avoid transformation of input coordinates into principal axis system?
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ComingNine
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2
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4606
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April 20, 2010, 12:49:28 PM
by ComingNine
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Perfoming transition state search with relax
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evgeniy
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2
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3356
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December 14, 2009, 10:36:36 AM
by evgeniy
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relax problem
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175116
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2
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5236
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February 15, 2009, 10:56:06 AM
by 175116
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A question about relax
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tom2003cat
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1
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2770
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January 11, 2009, 11:46:23 AM
by christof.haettig
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Error messages - convcheck failed
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pablonanzo
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4
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7070
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July 30, 2007, 02:21:48 PM
by pablonanzo
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Fitting functions coalesce in cbasopt
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ghill
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2
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4218
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May 23, 2007, 11:00:03 AM
by ghill
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