[Pw_forum] CVS Changes in output file format

[Paul M. Grant]

The scf and nscf output files produced by pw.x in release espresso-3.2.3
contain the following lines,
     nbndx  =    28  nbnd   =     7  natomwfc =    18  npwx   =    5958
     nelec  =   6.00  nkb   =     8  ngl    =    2887
which are now (apparently) absent from pw.x results in the O-sesame and
espressocvs distros.  I imagine this has broken a few scripts (like mine!)
that grep-ed for the default values of nbnd and nelec.  No biggy, because
these values can be input-ed directly, but I would think no changes are made
in a core program like pw.x without a reason.what was it for this one?

Paul M. Grant, PhD
Principal, W2AGZ Technologies
Visiting Scholar, Applied Physics, Stanford University
EPRI Science Fellow (Retired)
IBM Research Staff Member Emeritus
w2agz at pacbell.net
http://www.w2agz.com
 
 


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