[Pw_forum] Different behavior in relax tasks
Marino Vetuschi Zuccolini
zucco at dipteris.unige.it
Tue Oct 9 16:13:21 CEST 2007
Dear all,
sorry if the question was already posted and the answer done, but I
didn't found a good one.
Does the if_pos syntax for ATOMIC_POSITION block > MUST < runs in
"calculation='vc-relax'" jobs AS in "calculation='relax'" ?
I'm using 3.2 and 3.2cvs versions and pw.x "relax" seems to run well
instead of "vc-relax", where apparently nothing change in coordinate
position.
Thanks
m.
*******************************************************
Marino Vetuschi Zuccolini
zucco at dipteris.unige.it
Researcher / Geochemist
Laboratory of Geochemistry
DIPartimento per lo studio della TErra e delle sue RISorse -
Università di Genova
Tel. ++39 010 3538136 Fax. ++39 010 352169
Corso Europa 26, 16132 - Genova - Italy
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