[Pw_forum] Band structure calculation:Reg

Suresh A suresh2007pgp19 at gmail.com
Tue Jan 26 04:06:26 CET 2016


Dear All,
               I am using following pseudopotentials for band strucutre
    calculaton.

    O.bp-van_ak.UPF -->  The Pseudo was generated with a Non-Relativistic
    Calculation
    Ti.bp-sp-van_ak.UPF--->The Pseudo was generated with a
Scalar-Relativistic
    Calculation

    Is it correct to use one pseudopotential generated with
Scalar-Relativistic
    Calculation and another with Non-Relativistic Calculation for band
    strucuture calculation
                  With Regards,
A.Suresh,
Research Scholar,
Madurai Kamaraj University,
Madurai.
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