[Pw_forum] question about bands.dat.gnu file - reg.,

Muthu V muthu.physicsmath at gmail.com
Thu Jul 14 08:25:07 CEST 2016

Dear Users
I have one question about the sibands.dat.gnu file. I tried to run
qe/PP/examples/example01/run_example file which is for Si system. It
successfully creating  *.xmgr.* files and one sibands.dat.gnu.
i tried to plot band using sibands.dat.gnu file. but the levels of
conduction band minimum and valence band maximum(VBM) are shifted comparing
to the default bands.ps created by run_example script file. here i have
attached bands.ps and the plot i made using gnuplot.

My questions:

*1. whether energy value in sibands.dat.gnu is shifted by the fermi value
to fix VBM at 0eV ?*

*   (Note: please carefully look at the energy scale in myplot.png. it is
different from that in sibands.ps <http://sibands.ps>)*

*2. Which part in bands.f90 fortran programm creating sibands.dat.gnu ? (
hence i can check for the value of Fermi energy it is using to shift the
energy       levels)*
*3. what is the meaning of the numericals at the end of xmgr files ? *
   for example  run_example creates sibands.xmgr.1.1 sibands.xmgr.1.3
sibands.xmgr.2.1 sibands.xmgr.2.4 sibands.xmgr.2.5  sibands.xmgr.3
sibands.xmgr.4.1 sibands.xmgr.4.2 sibands.xmgr.4.3 sibands.xmgr.4.4. here i
want to know meaning of  the numbers 1.1 2.1 2.2 etc

can anyone give your suggestion  or source where i can get the required
Thank you

Muthu V
Sri Paramakalyani College
Alwarkurichi, India
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