mirror of https://gitlab.com/QEF/q-e.git
54 lines
1.9 KiB
Fortran
54 lines
1.9 KiB
Fortran
!
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! Copyright (C) 2001 PWSCF group
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! This file is distributed under the terms of the
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! GNU General Public License. See the file `License'
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! in the root directory of the present distribution,
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! or http://www.gnu.org/copyleft/gpl.txt .
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!
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!-----------------------------------------------------------------------
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subroutine write_epsilon_and_zeu (zstareu, epsilon, nat, iudyn)
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!-----------------------------------------------------------------------
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USE io_global, ONLY : stdout
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USE kinds, only : DP
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implicit none
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! input variables
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integer :: iudyn, nat
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! unit number
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! number of atom in the unit cell
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real(kind=DP) :: zstareu (3, 3, nat), epsilon (3, 3)
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! the effective charges
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! the dielectric tensor
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! local variables
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integer :: na, icar, jcar
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! counter on atoms
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! cartesian coordinate counters
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!
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! write dielectric tensor and Z(E,Us) effective charges on iudyn
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!
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write (iudyn, '(/,5x,"Dielectric Tensor:",/)')
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write (iudyn, '(3e24.12)') ( (epsilon (icar, jcar) , jcar = 1, 3) &
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, icar = 1, 3)
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write (iudyn, '(/5x, "Effective Charges E-U: Z_{alpha}{s,beta}",/)')
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do na = 1, nat
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write (iudyn, '(5x,"atom # ",i4)') na
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write (iudyn, '(3e24.12)') ( (zstareu (icar, jcar, na) , jcar=1, 3), &
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icar = 1, 3)
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enddo
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!
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! write dielectric tensor and Z(E,Us) effective charges on standard output
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!
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WRITE( stdout, '(/,10x,"Dielectric constant in cartesian axis ",/)')
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WRITE( stdout, '(10x,"(",3f15.5," )")') ( (epsilon (icar, jcar) , &
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jcar = 1, 3) , icar = 1, 3)
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WRITE( stdout, '(/,10x,"Effective charges E-U in cartesian axis ",/)')
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WRITE( stdout, '(10x, " Z_{alpha}{s,beta} ",/)')
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do na = 1, nat
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WRITE( stdout, '(10x," Atom ",i5)') na
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WRITE( stdout, '(10x,"(",3f15.5," )")') ( (zstareu (icar, jcar, na) &
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, jcar = 1, 3) , icar = 1, 3)
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enddo
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return
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end subroutine write_epsilon_and_zeu
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