write_kpoints.f90

#include "alias.inc"

subroutine write_unfold_kpoint(PINPT, PGEOM)
    use mpi_setup
    use print_io
    use mykind
    use parameters, only: incar, poscar, pid_kpts
    implicit none
    type(incar  )        :: PINPT
    type(poscar )        :: PGEOM
    character(len=256)      kfilenm
    integer(kind=sp)        ik

    if(myid .ne. 0) return

    write(kfilenm, '(A)') trim(PINPT%folder_out)//'KPOINTS_SC'

    write(message,'(A)')' ' ; write_msgi
    write(message,'(A)')'#- WRITING KPOINTS (SC) FILE: ' ; write_msgi

    open(pid_kpts, file=trim(kfilenm), status='unknown')
    write(pid_kpts, '(A )')'# Supercell BZ KPOINTS generated by VASP-BAUM'
    write(pid_kpts, '(I6)') PGEOM%nkpts
    write(pid_kpts, '(A)' )' Reciprocal'

    do ik = 1, PGEOM%nkpts
        write(pid_kpts,'(4F12.8)') PGEOM%kpts(:,ik), 1.0d0
    enddo

    close(pid_kpts)

    write(message,'(A)')'  --> '//trim(kfilenm) ; write_msgi
    write(message,'(A)')'     Note: Copy KPOINTS_SC into KPOINTS for the VASP run' ; write_msgi

    return
endsubroutine