LCOV - code coverage report
Current view: top level - cdn - od_chirot.f (source / functions) Hit Total Coverage
Test: combined.info Lines: 0 13 0.0 %
Date: 2019-09-08 04:53:50 Functions: 0 1 0.0 %

          Line data    Source code
       1             : !--------------------------------------------------------------------------------
       2             : ! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
       3             : ! This file is part of FLEUR and available as free software under the conditions
       4             : ! of the MIT license as expressed in the LICENSE file in more detail.
       5             : !--------------------------------------------------------------------------------
       6             : 
       7             :       MODULE m_od_chirot
       8             :       CONTAINS
       9           0 :       SUBROUTINE od_chirot(
      10             :      >                  odi,ods,bmat,k,
      11           0 :      <                  kr,phas)
      12             : 
      13             : ****************************************************************
      14             : *     perform symmetry operations of the cylindrical group 
      15             : *     of symmetries on the reciprocal vector k, given in internal
      16             : *     coordinates
      17             : *                                       Y.Mokrousov
      18             : ****************************************************************
      19             : 
      20             :       USE m_types, ONLY : od_inp, od_sym
      21             : 
      22             :       IMPLICIT NONE
      23             : !     ..
      24             :       TYPE (od_inp), INTENT (IN) :: odi
      25             :       TYPE (od_sym), INTENT (IN) :: ods
      26             :       INTEGER, INTENT (IN)  :: k(3)
      27             :       REAL,    INTENT (IN)  :: bmat(3,3)
      28             :       REAL,    INTENT (OUT) :: kr(3,ods%nop)
      29             :       COMPLEX, INTENT (OUT) :: phas(ods%nop)
      30             : !     ..
      31             : !     .. Local Scalars ..
      32             :       INTEGER n,inv
      33             : !     ..
      34             : !     ..
      35             : 
      36           0 :       DO n = 1,ods%nop
      37             :          kr(1,n) = k(1)*ods%mrot(1,1,n) +
      38             :      +             k(2)*ods%mrot(2,1,n) +
      39           0 :      +             k(3)*ods%mrot(3,1,n)
      40             :          kr(2,n) = k(1)*ods%mrot(1,2,n) + 
      41             :      +             k(2)*ods%mrot(2,2,n) +
      42           0 :      +             k(3)*ods%mrot(3,2,n)
      43             :          kr(3,n) = k(1)*ods%mrot(1,3,n) + 
      44             :      +             k(2)*ods%mrot(2,3,n) +
      45           0 :      +             k(3)*ods%mrot(3,3,n)
      46             :       ENDDO
      47             : 
      48           0 :       IF (odi%chi.NE.1) THEN
      49           0 :          DO n = 1,ods%nop
      50           0 :             inv = ods%invtab(n)
      51           0 :             phas(n) = exp(cmplx(0.,bmat(3,3)*kr(3,n)*ods%tau(3,inv)))
      52             :          END DO
      53             :       ELSE
      54           0 :          DO n = 1,ods%nop
      55           0 :             phas(n) = cmplx(1.,0.)
      56             :          END DO
      57             :       END IF
      58             :       
      59           0 :       RETURN
      60             :       END SUBROUTINE od_chirot
      61             :       END MODULE m_od_chirot
      62             : 
      63             :  

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