mirror of https://gitlab.com/QEF/q-e.git
47 lines
1.4 KiB
Fortran
47 lines
1.4 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 kinds, only : DP
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USE control_ph, ONLY : xmldyn
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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(DP) :: zstareu (3, 3, nat), epsilon (3, 3), chi(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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IF (.NOT.xmldyn) THEN
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write (iudyn, '(/,5x,"Dielectric Tensor:",/)')
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write (iudyn, '(3f24.12)') ((epsilon(icar,jcar), jcar=1,3), 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, '(3f24.12)') ((zstareu(icar,jcar,na), jcar=1,3), icar=1,3)
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enddo
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ENDIF
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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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CALL summarize_epsilon()
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CALL summarize_zeu()
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return
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end subroutine write_epsilon_and_zeu
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