[Pw_forum] FS construction

[Eyvaz Isaev]

Dear Paolo,

In my home PC I have integrated some small programs
for the Fermi Surface construction into /pwtools. I.e.
now "make tools" will produce two auxiliary executable
files used in Fermi_Surface.sh. I have also changed a
path for these files in the script.   
So, I suggest, we can add this functionality to PWSCF.

I have checked  the FS for NiAl, and again it is very
similar to the one published in  PHYSICAL REVIEW B 70,
064301 (2004).

Later I will add the spin-polarized case.

Bests,
Eyvaz.





 

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