[Pw_forum] vc-relax and LDA+U: Segmentation fault

Marino Vetuschi Zuccolini zucco at dipteris.unige.it
Wed Sep 24 16:46:30 CEST 2008


Hello to all,
from a very recent email posted on the forum it seem to me that  
relaxation (maybe vc-relax) is possible using LDA+U, and that  
experimental implementation of phonons with LDA+U is going on (for  
this I hope to be a beta-tester if my structure converge..).
My question is: does anyone of you have experience a Segmentation  
fault using vc-relax and LDA+U just after the wfc convergence has been  
achieved, starting 'from_scratch'?
I'm using 4.0CVS in serial mode, but it also in 4.0.2 version it  
happens.
Any help is welcome.

Marino


*******************************************************
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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