[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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