[Pw_forum] wigner seitz radius

[Suza W]

Hello All,

VASP specifies wigner seitz radius (for example, 2.8 a.u.) in PAW file.

How does QE choose this radius for KJPAW ?
Where  is the chosen value for this radius printed in QE ?
Is this allowed to vary this radius to tune a specific property ?



Any helpful comment is fully appreciated in advance.

Yours sincerely,
Suza W
Research Associate, DMS, Bangalore.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20140926/f62c2c15/attachment.html>