[xcrysden] Fermi Surface construction
Eyvaz Isaev
xcrysden@democritos.it
Thu, 18 Aug 2005 10:57:34 -0700 (PDT)
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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.
____________________________________________________
Start your day with Yahoo! - make it your home page
http://www.yahoo.com/r/hs
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