[Pw_forum] problem with plotband.x

Surender surender_kumar at iitb.ac.in
Wed Dec 12 13:24:40 CET 2012


Dear all,

I have just compiled Quantum Espresso-5.0, using Intel compilers 12.1.6
and MKL. Installation went fine and I have all the executable in bin
directory. Now I am running band structure calculations for silicon. But
the band structure has some discrepancies (I mean when I compared it with
the silicon band structure given in hands on tutorials at
http://www.fisica.uniud.it/~giannozz/QE-Tutorial/ there are some band
crossovers). I don't know whether it’s problem a problem of  plotband.x or
something else. That’s why I am attaching all the input files and copies
of band structures which might be helpful in diagnosing the problem.

Thanks & regards,
Surender
IIT Bombay, India



PS : "siband.ps" is the calculated band structure while
"siband.actual.pdf" is from hands on tutorials



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