[Pw_forum] KPOINTS

[sreekar guddeti]

@bhabya
Respected Mr. Sahoo,


>
> how can one give the k points in nscf calculation (band structure ) of
> tetragonal phase (B10)
>

If by this you mean selection of kpoints along a path in the Brillouin
zone(generally connecting the symmetry points), I would suggest two options:
1. Use XCrysden (http://www.xcrysden.org/XCrySDen.html) . It has an option
for generating kpoints.
2. Write ur own recipe in your favourite language :D ... its fairly simple.
Make sure the format is consistent with that used in pwscf.

PS: Its a suggestion that you start your mail with a polite address to the
community... just a suggestion... chill

Sincerely,
Sreekar Guddeti
Undergraduate (5th year)
Engineering Physics
IIT Bombay
India
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