[Pw_forum] Problem calculating localized density of states in a slab

Paolo Giannozzi giannozz at nest.sns.it
Wed Mar 8 15:57:55 CET 2006

On Wednesday 08 March 2006 04:18, Eduardo J. Lamas wrote:

> My problem is that projwfc.x seems to fail no matter what I try [...]
> P.S.: I tried this on espresso 3.0 and 2.1.3 both compiled with
> portland fortran 5.1 on opteron quads 
> I also tried it on an espresso compiled with intel compiler. 

portland is completely unreliable. I tried your data with a PP from 
www.pwscf.org on my PC (intel compiler) and the results look 
reasonable at a first glance. I used both versions 3.0 and the 
development version: 

Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy

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