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

[Paolo Giannozzi]

On Monday 13 March 2006 16:00, Eduardo J. Lamas wrote:

> I am wondering if there is any problem with vdb pseudos.
> With the PW vdb pseudo from Vanderbilt's library it will
> directly crash. (I tried other elements with vdb PP and it
> they will also crash projwfc.x)

there was actually a problem in the development version with 
PPs in the Vanderbilt format (a variable was not correctly set
when re-reading the files). Now it is fixed. Thank you for providing 
tests. I can run your test serially on a PC or on 1,2,4 processors of 
a sp5 machine and it works. Also the stable version (3.0) works for
me on a PC, though.

Paolo
-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
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