! ! Copyright (C) 2001 PWSCF group ! This file is distributed under the terms of the ! GNU General Public License. See the file `License' ! in the root directory of the present distribution, ! or http://www.gnu.org/copyleft/gpl.txt . ! !----------------------------------------------------------------------- subroutine write_epsilon_and_zeu (zstareu, epsilon, nat, iudyn) !----------------------------------------------------------------------- USE io_global, ONLY : stdout USE kinds, only : DP implicit none ! input variables integer :: iudyn, nat ! unit number ! number of atom in the unit cell real(DP) :: zstareu (3, 3, nat), epsilon (3, 3) ! the effective charges ! the dielectric tensor ! local variables integer :: na, icar, jcar ! counter on atoms ! cartesian coordinate counters ! ! write dielectric tensor and Z(E,Us) effective charges on iudyn ! write (iudyn, '(/,5x,"Dielectric Tensor:",/)') write (iudyn, '(3f24.12)') ((epsilon(icar,jcar), jcar=1,3), icar=1,3) write (iudyn, '(/5x, "Effective Charges E-U: Z_{alpha}{s,beta}",/)') do na = 1, nat write (iudyn, '(5x,"atom # ",i4)') na write (iudyn, '(3f24.12)') ((zstareu(icar,jcar,na), jcar=1,3), icar=1,3) enddo ! ! write dielectric tensor and Z(E,Us) effective charges on standard output ! WRITE( stdout, '(/,10x,"Dielectric constant in cartesian axis ",/)') WRITE( stdout, '(10x,"(",3f15.5," )")') & ((epsilon(icar,jcar), jcar=1,3), icar=1,3) WRITE( stdout, '(/,10x,"Effective charges E-U in cartesian axis ",/)') ! WRITE( stdout, '(10x, " Z_{alpha}{s,beta} ",/)') do na = 1, nat WRITE( stdout, '(10x," atom ",i5)') na WRITE( stdout, '(10x,"(",3f15.5," )")') & ((zstareu(icar,jcar,na), jcar=1,3), icar=1,3) enddo return end subroutine write_epsilon_and_zeu