[Pw_forum] (no subject)

Yin Wanjian wanjianyin at gmail.com
Wed Feb 22 07:15:31 CET 2006


Hi, All,
   Quantum-Espresso could use old BHS pseudopotential,  but I could
not find any of this old type in directory of ~/pseudo , anyway, I
have tried to generate some along with the the subroutine
readbhs(is,iunps) in ~/CPV/cplib.f90 file . But I can't understand the
following lines,

!     ------------------------------------------------------------------
!     wavefunctions are read from file iunps
!     ------------------------------------------------------------------
      do il=1,nbeta(is)
         read(iunps,*) mesh(is),cmesh(is)
!
! kkbeta is for compatibility with Vanderbilt PP
!
         kkbeta(is)=mesh(is)
         do j=1,mesh(is)
            read(iunps,*) jj,r(j,is),betar(j,il,is)
         end do
      end do
! --------------------------------------------------------------------

   It seems to translate BHS type to Vanderbilt type! What does it mean?
Your help will be greatly appreciated!

Yin Wanjian



More information about the users mailing list