[Pw_forum] Fermi Surface

[Eyvaz Isaev]

Dear Paolo,

I am not sure that you received my previous mail
because it did not appear on the forum, too.

I would like to note that in my home PC I have
integrated some programs for FS construction into
/pwtools. Now "make tools" compile also two small
auxiliary files for FS construction, and a path for
these executable files are also corrected in
Fermi_Surface.sh script. 
So, I suggest, now we can submit these files into
PWSCF distribution in order to give Fermi surface
construction functionality to PWSCF. 

The last FS I checked was the one for B2 NiAl. It is
in very good agreement with  PHYSICAL REVIEW B 70,
064301 (2004).

Best regards,
Eyvaz.
       


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