[Pw_forum] Fermi Surface construction

[Eyvaz Isaev]

Dear PWSCF and XCrySDen users,

Finally, I submit a script and auxialiary files to
plot the Fermi Surface. I tested it on a single CPU PC
with Intel Fortran 8.1, and on a parallel IBM/SP
computer.

You have to copy bands_FS.f and kvecs_FS.f files into
./pwtools directory. Makefile in /pwtools should be
replaced by the Makefile provided. You can compile
additional files typing "make tools" in your Espresso
source directory (or go to /pwtools and just type
"make").

Then copy Fermi_Surface.sh into your working directory
and  edit it according to your purpose.

I would like also ask Paolo to submit it into
/examples  
directory in order to be included to Espresso
distribution. I can do it for myself but I have no
account for CVS. 

Hopefully I will be able to integrate a script for
bands structure calculations, soon. 

Bests,
Eyvaz.
 


		
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