LCOV - code coverage report
Current view: top level - init - parawrite.f90 (source / functions) Hit Total Coverage
Test: combined.info Lines: 37 40 92.5 %
Date: 2019-09-08 04:53:50 Functions: 1 1 100.0 %

          Line data    Source code
       1          14 :       SUBROUTINE parawrite(&
       2             :      &                     sym,stars,atoms,sphhar,dimension,vacuum,obsolete,&
       3             :      &                     kpts,oneD,input)
       4             : 
       5             :       USE m_types
       6             :       IMPLICIT NONE
       7             :       TYPE(t_sym),INTENT(IN)       :: sym
       8             :       TYPE(t_stars),INTENT(IN)     :: stars 
       9             :       TYPE(t_atoms),INTENT(IN)     :: atoms
      10             :       TYPE(t_sphhar),INTENT(IN)    :: sphhar
      11             :       TYPE(t_dimension),INTENT(IN) :: dimension
      12             :       TYPE(t_vacuum),INTENT(INOUT) :: vacuum
      13             :       TYPE(t_obsolete),INTENT(IN)  :: obsolete
      14             :       TYPE(t_kpts),INTENT(IN)      :: kpts
      15             :       TYPE(t_oneD),INTENT(IN)      :: oneD
      16             :       TYPE(t_input),INTENT(IN)     :: input
      17             :    
      18             :      
      19             : 
      20          14 :       write(6,*) "-----------fl7para file starts here-----------"
      21             : 
      22          14 :       WRITE (6,'(6x,''Symmetry elements and FFT parameters '')')
      23          14 :       WRITE (6,8080) sym%nop,stars%mx1,stars%mx2,stars%mx3,stars%ng3,stars%ng2
      24             : 
      25             :  8080 FORMAT (6x,'parameter (nop =',i2,',k1d=',i3,',k2d=',i3,',k3d=',i3,&
      26             :      &       ',n3d=',i6,',n2d=',i4,')')
      27             : 
      28             : !+sb(cdn_fft;Feb.97)
      29          14 :       WRITE (6,'(6x,''FFT-parameters for charge density'')')
      30          14 :       WRITE (6,8090) stars%kq1_fft,stars%kq2_fft,stars%kq3_fft
      31             : 
      32             :  8090 FORMAT (6x,'parameter (kq1d=',i3,',kq2d=',i3,',kq3d=',i3,')')
      33             : 
      34          14 :       WRITE (6,'(6x,''FFT-parameters for XC-potential'')')
      35          14 :       WRITE (6,8100) stars%kxc1_fft,stars%kxc2_fft,stars%kxc3_fft
      36             : 
      37             :  8100 FORMAT (6x,'parameter (kxc1d=',i3,',kxc2d=',i3,',kxc3d=',i3,')')
      38             : 
      39          14 :       WRITE (6,'(6x,''(Inequivalent) atoms and radial mesh'')')
      40          14 :       WRITE (6,8110) atoms%ntype,atoms%nat,atoms%jmtd
      41             : 
      42             :  8110 FORMAT (6x,'parameter (ntypd=',i3,',natd=',i3,',jmtd=',i4,')')
      43             : 
      44             : 
      45          14 :       WRITE (6,'(6x,''Different lattice harmonics components'')')
      46          14 :       WRITE (6,8120) sphhar%ntypsd,sphhar%nlhd,sphhar%memd
      47             : 
      48             :  8120 FORMAT (6x,'parameter (ntypsd=',i3,',nlhd=',i3,',memd=',i2,')')
      49             : 
      50          14 :       WRITE (6,'(6x,''L-cutoff of potential, charge & wf '')')
      51          14 :       WRITE (6,8130) atoms%lmaxd
      52             : 
      53             :  8130 FORMAT (6x,'parameter (lmaxd=',i2,')')
      54             : 
      55          14 :       WRITE (6,'(6x,''Number of spins and vacua'')')
      56          14 :       WRITE (6,8140) input%jspins,vacuum%nvacd
      57             : 
      58             :  8140 FORMAT (6x,'parameter (jspd=',i1,',nvacd=',i1,')')
      59             : 
      60          14 :       vacuum%nmz = 250
      61          14 :       vacuum%nmzxy = 100
      62          14 :       WRITE (6,'(6x,''Vacuum layers for G=0 and G=/=0'')')
      63          14 :       WRITE (6,8150) vacuum%nmz,vacuum%nmzxy
      64             : 
      65             :  8150 FORMAT (6x,'parameter (nmzd=',i3,',nmzxyd=',i3,')')
      66             : 
      67             : !+gu
      68          14 :       WRITE (6,'(6x,''3 & 2D planewaves, windows, k-points'')')
      69          14 :       WRITE (6,8180) dimension%nvd,dimension%nv2d,kpts%nkpt
      70             : 
      71             :  8180 FORMAT (6x,'parameter (nvd=',i5,',nv2d=',i4,',nwdd=1', ',nkptd=',i5,')')
      72             : 
      73          14 :       WRITE (6,'(6x,''Number of (occupied) bands'')')
      74          14 :       WRITE (6,8190) dimension%neigd,dimension%neigd
      75             : 
      76             :  8190 FORMAT (6x,'parameter (nobd=',i4,',neigd=',i4,')')
      77             : !-gu
      78             : 
      79          14 :       WRITE (6,'(6x,''Nuclear mesh and core levels'')')
      80          14 :       WRITE (6,8200) dimension%msh,dimension%nstd
      81             : 
      82             :  8200 FORMAT(6x,'parameter (msh=',i4,',nstd=',i2,')')
      83             : 
      84          14 :       WRITE (6,'(6x,''Max. l-value for pseudocharge exp.'')')
      85          14 :       WRITE (6,8210) dimension%ncvd
      86             : 
      87             :  8210 FORMAT (6x,'parameter (ncvd=',i3,')')
      88             : 
      89          14 :       WRITE (6,'(6x,''Layers for vacuum DOS'')')
      90          14 :       WRITE (6,'(6x,''parameter(layerd='',i3,'')'')') vacuum%layerd
      91             : 
      92          14 :       WRITE (6,'(6x,''Local Orbital Parameters'')')
      93          14 :       WRITE (6,8220) atoms%nlod,atoms%llod
      94             : 
      95             :  8220 FORMAT(6x,'parameter (nlod=',i3,',llod=',i3,')')
      96             : 
      97          14 :       IF (oneD%odd%d1) THEN
      98           0 :         WRITE (6,'(6x,''One-dimensional parameters'')')
      99           0 :         WRITE (6,8230) oneD%odd%mb,oneD%odd%M,oneD%odd%m_cyl,oneD%odd%chi,oneD%odd%rot,&
     100           0 :      &                           oneD%odd%nop,oneD%odd%n2d,oneD%odd%d1
     101             :       ELSE
     102          14 :         WRITE (6,'(6x,''One-dimensional parameters'')')
     103          14 :         WRITE (6,8230) 0,0,0,0,0,sym%nop,stars%ng2,.false.
     104             :       END IF
     105             : 
     106             :  8230   FORMAT (6x,'parameter (vM=',i3,',MM=',i3,',m_cyl=',i3,&
     107             :      &                       ',chi=',i3,&
     108             :      &                       ',rot=',i3,',nop=',i3,',n2d=',i6,&
     109             :      &                       ',d1=',l1,')')
     110          14 :       WRITE(6,*) "-----------fl7para file ends here-----------"
     111             :  
     112          14 :       RETURN
     113             : 
     114             :       END

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