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how to perform excitation energy calculation using RICC2
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wuhen
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0
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13
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September 05, 2010, 01:41:22 PM
by wuhen
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ricc2 disk space requirements and $sharedtmpdir
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Thomas_Hofer
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2
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332
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July 21, 2010, 03:20:32 PM
by christof.haettig
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ricc2 fails on computation of triplet excitet state properties
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plato
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1
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306
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July 21, 2010, 03:13:41 PM
by christof.haettig
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parallel ricc2 on a cluster with a global tmpdir fails
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evgeniy
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3
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147
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July 21, 2010, 08:54:06 AM
by evgeniy
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CCSD(t)
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wilhelm
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8
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379
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July 21, 2010, 07:01:55 AM
by antti_karttunen
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single point ricc2 riccaux error for large system
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cest_la_vie
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1
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150
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July 20, 2010, 04:21:31 PM
by christof.haettig
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"triplet" energies non-degenrate in C1?
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resofidentity
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4
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155
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July 20, 2010, 04:14:41 PM
by christof.haettig
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strange gradient, then scf convergence failure
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resofidentity
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2
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206
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June 09, 2010, 05:57:51 PM
by resofidentity
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Restating failure
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Molcasito
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1
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294
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June 01, 2010, 03:50:45 PM
by Arnim
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dimension too large error?
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sazabi
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2
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241
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May 09, 2010, 06:26:11 PM
by sazabi
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parallel geometry optimization fails at statpt step
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tom
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4
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596
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April 07, 2010, 10:36:10 AM
by uwe
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Is "ricc2 -fanal" working in TM-6.0?
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evgeniy
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14
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1632
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March 19, 2010, 03:06:02 PM
by evgeniy
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Discretized Transition Density (from ricc2 excited state calculation)
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mhoefli
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1
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342
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February 10, 2010, 04:12:01 PM
by christof.haettig
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cc2 excited energies
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Nikitina
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5
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766
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December 07, 2009, 01:37:27 PM
by olehtone
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$pointval mos in excited state RICC2
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Alex_V
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1
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793
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September 28, 2009, 10:32:23 AM
by christof.haettig
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Performance of ricc2 in a multicore case
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evgeniy
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1
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787
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September 28, 2009, 10:27:44 AM
by christof.haettig
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Symmetry variation in the excited-state calculations
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quantmx
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1
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576
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September 28, 2009, 10:12:35 AM
by christof.haettig
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TD-B2PLYP in TM v6.0?
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Anu
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1
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641
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September 28, 2009, 10:11:20 AM
by christof.haettig
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excited states RICC2 – symmetry issue
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Alex_V
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2
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855
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August 13, 2009, 12:54:10 PM
by Alex_V
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parallel NumForce calculation using RI-MP2 in the CC2 module
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lyzhu
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3
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899
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June 14, 2009, 10:28:35 AM
by mpjohans
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