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/> -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090326/6d182aed/attachment.htm
