LCOV - code coverage report
Current view: top level - kpoints - od_kptsgen.f (source / functions) Hit Total Coverage
Test: combined.info Lines: 0 16 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_kptsgen
       8             :       CONTAINS 
       9           0 :       SUBROUTINE od_kptsgen (nkpt)
      10             : 
      11             : !          generates a kpts file in a half of the 
      12             : !       one-dimensional Brillouin zone, uniform distribution
      13             : !                      Y. Mokrousov Dec 2005 
      14             : 
      15             :       IMPLICIT NONE
      16             : 
      17             :       INTEGER, INTENT(IN) :: nkpt
      18             : 
      19             : !  local
      20             :       INTEGER i,j
      21           0 :       REAL   , ALLOCATABLE :: kpts(:,:)
      22             :       REAL    scale
      23             : 
      24           0 :       scale = 1.0   
      25             : 
      26           0 :       ALLOCATE ( kpts(3,nkpt) )
      27             : 
      28           0 :       OPEN (41,file='kpts',form='formatted',status='new')
      29           0 :       WRITE (41,FMT=8110) nkpt,scale,.false.
      30             : 
      31           0 :       DO i = 1,nkpt
      32             : 
      33           0 :          kpts(1,i) = 0.
      34           0 :          kpts(2,i) = 0.
      35           0 :          IF (nkpt.EQ.1) THEN
      36           0 :             kpts(3,i) = 0.0
      37             :          ELSE
      38           0 :             kpts(3,i) = scale*(i-1)/(2.*(nkpt-1))
      39             :          ENDIF
      40             : 
      41           0 :          WRITE (41,FMT=8040) (kpts(j,i),j=1,3)
      42             : 
      43             :       END DO
      44             : 
      45             :  8110 FORMAT (i5,f20.10,3x,l1)
      46             :  8040 FORMAT (4f10.5)
      47             : 
      48           0 :       CLOSE (41)
      49             : 
      50           0 :       DEALLOCATE ( kpts )
      51             : 
      52           0 :       END SUBROUTINE od_kptsgen
      53             :       END MODULE m_od_kptsgen

Generated by: LCOV version 1.13