[Pw_forum] Fermi Surface

John Shin joyshin at ucsc.edu
Sat Oct 17 07:34:46 CEST 2015


Hello,

I could use some assistance with the Fermi Surface calculation. I tried the
Ni example, but it seems to stop in the middle of the example. I have
searched through past mailing lists but I haven't been able to really find
a comprehensive guide.

I am practicing with Al. I first ran an scf calculation with pw.x. Next, I
ran a calculation='bands' with pw.x. Next, I copied the bands.in file from
the Ni example and made the necessary changes to Al. I ran a calculation
with bands.x. Next, I am told to use the two packages kvec_FS.x and
bands_FS.x. I think I am supposed to use kvec_FS.x next, but I am not sure
how to format the input file for kvec_FS.x.

Best,
John Shin
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