[Pw_forum] Line 325 in bands_FS.f90
eyvaz_isaev at yahoo.com
Thu Mar 26 22:14:31 CET 2009
I have just tested the code provided in 4.0.4, but with the output of 3.2. Both, Non-Spin polarized, and Spin-Polarized results worked well for Ni.
And you can see from the line 325 that there is no limitation for bands numbers.
Nevertheless, I will try the code with 4.0.4 output.
By the way, it might be much helpful, if you send me your output file for which you have troubles.
--- On Thu, 3/26/09, Paul M. Grant <w2agz at pacbell.net> wrote:
> From: Paul M. Grant <w2agz at pacbell.net>
> Subject: [Pw_forum] Line 325 in bands_FS.f90
> To: "'PWSCF Forum'" <pw_forum at pwscf.org>
> Date: Thursday, March 26, 2009, 10:34 PMI
> 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
> 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/>
> Pw_forum mailing list
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