[Pw_forum] Pseudopotential Doubt:Reg
Suresh A
suresh2007pgp19 at gmail.com
Mon Jul 4 08:46:08 CEST 2016
Respected Sirs/Friends,
For anatase band structure calculation, I
used pseudopotential Ti with non-linear core correction and O without
nonlinear core correction.
Is it right to do such a band structure calculation?
With Regards,
A.Suresh,
Research Scholar,
Madurai Kamaraj University,
Madurai.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20160704/5f4f41c2/attachment.html>
More information about the users
mailing list