[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