[Pw_forum] Fermi Surface program
Eyvaz Isaev
eyvaz_isaev at yahoo.com
Fri Feb 29 23:25:50 CET 2008
Dear Paolo,
Dear users,
I have re-written (in F90 style) the Fermi Surface
(FS) plot program so that now FS calculations for
spin polarized cases are allowed.
Actually I removed a part of the program for bands
structure calculations "Calc_Type=Bands". I think this
one deserves its own script.
Input remains the same except "Calc_Type" line removed
now. I apply also re-written script for Ni where one
can find FS calculations for magnetic and nonmagnetic
Ni.
Please update these files in the QE distribution.
Bests,
Eyvaz.
P.S. I have seen my responsibility for the QHA staff.
Mostly it is ready to use.
-------------------------------------------------------------------
Prof. Eyvaz Isaev,
Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia,
IFM, Linkoping University, Sweden
Condensed Matter Theory Group, Uppsala University, Sweden
Eyvaz.Isaev at fysik.uu.se, eyvaz_isaev at yahoo.com
____________________________________________________________________________________
Never miss a thing. Make Yahoo your home page.
http://www.yahoo.com/r/hs
-------------- next part --------------
A non-text attachment was scrubbed...
Name: bands_FS.f90
Type: text/x-fortran
Size: 8639 bytes
Desc: 3322185864-bands_FS.f90
Url : http://www.democritos.it/pipermail/pw_forum/attachments/20080229/27f2cb44/attachment.bin
-------------- next part --------------
A non-text attachment was scrubbed...
Name: run_example
Type: application/octet-stream
Size: 10682 bytes
Desc: 3506513086-run_example
Url : http://www.democritos.it/pipermail/pw_forum/attachments/20080229/27f2cb44/attachment.obj
More information about the Pw_forum
mailing list