[Pw_forum] Line 325 in bands_FS.f90

Paul M. Grant w2agz at pacbell.net
Thu Mar 26 20:34:19 CET 2009

While running bands_FS.x (espresso-4.0 distro) on the output of an PW nscf
non-spin-polarized job, I get the following error:

At line 325 of file bands_FS.f90
Fortran runtime error: Bad real number in item 5 of list input

This only happens for my LSDA=F runs, spin-polarized are OK.  (BTW, the
LSDA=F run for Ni in example 08 does work.  The only difference is that
ex08 deals with only 8 bands and 1 formated line, whilst my task computes 20
taking up 3 formated lines.)  Line 325 is in the LSDA=F portion of the code
follows a commented-out read command line with explicit formatting.  I can't
see any problem with the output of my nscf run.  Before I start messing
around with the bands_FS.f90 source, has anyone else run into this issue
(Eyvaz?)?  Is it possible there is a "line counting" error in the LSDA=F
portion when the band energy listing exceeds one line?  Sorry if I've made
some stupid blunder.

Paul M. Grant, PhD
Physicist and Science Writer
Principal, W2AGZ Technologies
Visiting Scholar, Applied Physics, Stanford (2005-2008)
EPRI Science Fellow (Retired)
IBM Research Staff Member Emeritus
w2agz at pacbell.net
http://www.w2agz.com <http://www.w2agz.com/> 

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