Line data    Source code

       1             : !--------------------------------------------------------------------------------
       2             : ! Copyright (c) 2017 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             : !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
       8             : !!!
       9             : !!! This module realizes the Fleur info mode: It prints out some information
      10             : !!! about the charge density file and then ends the program.
      11             : !!!
      12             : !!!                             GM'17
      13             : !!!
      14             : !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
      15             : 
      16             : MODULE m_fleur_info
      17             : 
      18             :    IMPLICIT NONE
      19             : 
      20             :    CONTAINS
      21             : 
      22          80 :    SUBROUTINE fleur_info(kpts)
      23             : 
      24             :       USE m_juDFT
      25             :       USE m_cdn_io
      26             :       USE m_setupMPI
      27             :       USE m_types
      28             :       USE m_constants
      29             : 
      30             :       IMPLICIT NONE
      31             : 
      32             :       TYPE(t_kpts), INTENT(IN)     :: kpts
      33             : 
      34             :       LOGICAL       :: l_exist
      35             : 
      36          80 :       WRITE(*,*) ''
      37          80 :       WRITE(*,'(a)') ' ========== k-point set info =========='
      38          80 :       WRITE(*,'(2a)') ' Selected k-point list: ', TRIM(ADJUSTL(kpts%kptsName))
      39          80 :       WRITE(*,'(2a)') ' k-point list type: ', TRIM(ADJUSTL(kptsKindString_consts(kpts%kptsKind)))
      40          80 :       IF(kpts%kptsKind.EQ.KPTS_KIND_MESH) WRITE(*,'(a,i0,a,i0,a,i0)') ' ', kpts%nkpt3(1), ' x ', kpts%nkpt3(2), ' x ', kpts%nkpt3(3)
      41          80 :       WRITE(*,'(a,i0)') ' Number of k points: ', kpts%nkpt
      42          80 :       WRITE(*,*) ''
      43             : 
      44          80 :       IF (.NOT.juDFT_was_argument("-info")) RETURN
      45             : 
      46           0 :       WRITE(*,*) 'Fleur info mode'
      47           0 :       WRITE(*,*) '================================================='
      48           0 :       WRITE(*,*) ''
      49           0 :       CALL priv_dist_info(kpts%nkpt)
      50           0 :       WRITE(*,*) ''
      51           0 :       CALL printDensityFileInfo()
      52           0 :       WRITE(*,*) '================================================='
      53           0 :       CALL juDFT_end("Fleur info output completed")
      54             :    END SUBROUTINE fleur_info
      55             : 
      56             : END MODULE m_fleur_info