[Pw_forum] Regarding Nonlinear core-correction
sanjaynayak at jncasr.ac.in
sanjaynayak at jncasr.ac.in
Thu Nov 13 20:26:21 CET 2014
Hi,
I am very new to quantum espresso and doing a phonon calculation for w- GaN bulk structure.
I have found many literature regarding this and in-most cases people are using nonlinear core
correction in PP. Is it necessary to use that ? Can anybody share the PP used in the paper
(J.Bernholc et al PRB , 61,6720.)
Details of required PP's properties are given below.
LDA, norm-conserving with nonlinear core-correction.
Thank you very much.
------------------------------
Sanjay Nayak
PhD Student
JNCASR
More information about the users
mailing list