Commit 400fdf1a authored by Gregor Michalicek's avatar Gregor Michalicek

Remove reading of the fl7para file.

parent fc844bf3
......@@ -49,142 +49,6 @@ CONTAINS
IF (mpi%irank.EQ.0) WRITE (6,*) 'Your parameters: '
OPEN (1,file='fl7para',form='formatted',status='old',err=200) ! La
READ (1,*,ERR=200,END=200)
READ (1,901,ERR=200,END=200) sym%nop,stars%mx1,stars%mx2,stars%mx3,stars%ng3,stars%ng2
IF (mpi%irank.EQ.0) WRITE (6,1001) sym%nop,stars%mx1,stars%mx2,stars%mx3,stars%ng3,stars%ng2
901 FORMAT (22x,i2,5x,i3,5x,i3,5x,i3,5x,i6,5x,i4)
1001 FORMAT (6x,'parameter (sym%nop= ',i2,',stars%mx1=',i3,',stars%mx2=',i3,',stars%mx3=',&
& i3,',stars%ng3=',i6,',stars%ng2=',i4,')')
READ (1,*,ERR=200,END=200)
READ (1,910,ERR=200,END=200) stars%kq1_fft,stars%kq2_fft,stars%kq3_fft
IF (mpi%irank.EQ.0) WRITE (6,1010) stars%kq1_fft,stars%kq2_fft,stars%kq3_fft
910 FORMAT (22x,i3,6x,i3,6x,i3)
1010 FORMAT (6x,'parameter (stars%kq1_fft=',i3,',stars%kq2_fft=',i3,',stars%kq3_fft=',i3,')')
READ (1,*,ERR=200,END=200)
READ (1,914,ERR=200,END=200) stars%kxc1_fft,stars%kxc2_fft,stars%kxc3_fft
IF (mpi%irank.EQ.0) WRITE (6,1014) stars%kxc1_fft,stars%kxc2_fft,stars%kxc3_fft
914 FORMAT (23x,i3,7x,i3,7x,i3)
1014 FORMAT (6x,'parameter (stars%kxc1_fft=',i3,',stars%kxc2_fft=',i3,',stars%kxc3_fft=',i3,')')
READ (1,*,ERR=200,END=200)
READ (1,902,ERR=200,END=200) atoms%ntype,atoms%nat,atoms%jmtd
IF (mpi%irank.EQ.0) WRITE (6,1002) atoms%ntype,atoms%nat,atoms%jmtd
902 FORMAT (23x,i3,6x,i3,6x,i4)
1002 FORMAT (6x,'parameter (atoms%ntype=',i3,',atoms%nat=',i3,',atoms%jmtd=',i4,')')
READ (1,*,ERR=200,END=200)
READ (1,903,ERR=200,END=200) sphhar%ntypsd,sphhar%nlhd,sphhar%memd
IF (mpi%irank.EQ.0) WRITE (6,1003) sphhar%ntypsd,sphhar%nlhd,sphhar%memd
903 FORMAT (24x,i3,6x,i3,6x,i2)
1003 FORMAT (6x,'parameter (sphhar%ntypsd=',i3,',sphhar%nlhd=',i3,',sphhar%memd=',i2,')')
READ (1,*,ERR=200,END=200)
READ (1,904,ERR=200,END=200) atoms%lmaxd
IF (mpi%irank.EQ.0) WRITE (6,1004) atoms%lmaxd
904 FORMAT (23x,i2)
1004 FORMAT (6x,'parameter (atoms%lmaxd=',i2,')')
READ (1,*,ERR=200,END=200)
READ (1,905,ERR=200,END=200) dimension%jspd,vacuum%nvacd
IF (mpi%irank.EQ.0) WRITE (6,1005) dimension%jspd,vacuum%nvacd
905 FORMAT (22x,i1,7x,i1)
1005 FORMAT (6x,'parameter (dimension%jspd=',i1,',vacuum%nvacd=',i1,')')
READ (1,*,ERR=200,END=200)
READ (1,906,ERR=200,END=200) vacuum%nmzd,vacuum%nmzxyd
IF (mpi%irank.EQ.0) WRITE (6,1006) vacuum%nmzd,vacuum%nmzxyd
906 FORMAT (22x,i3,8x,i3)
1006 FORMAT(6x,'parameter (vacuum%nmzd=',i3,',vacuum%nmzxyd=',i3,')')
READ (1,*,ERR=200,END=200)
READ (1,909,ERR=200,END=200) dimension%nvd,dimension%nv2d,kpts%nkpt
IF (mpi%irank.EQ.0) WRITE (6,1009) dimension%nvd,dimension%nv2d,1,kpts%nkpt
909 FORMAT (21x,i5,6x,i4,6x,i1,7x,i5,6x,i4)
1009 FORMAT(6x,'parameter (nvd=',i5,',nv2d=',i4,',nwdd=1',',nkptd=',i5,')')
READ (1,*,ERR=200,END=200)
READ (1,911,ERR=200,END=200) dimension%neigd,dimension%neigd
IF (mpi%irank.EQ.0) WRITE (6,1011) dimension%neigd,dimension%neigd
911 FORMAT (22x,i4,7x,i4)
1011 FORMAT(6x,'parameter (nobd=',i4,',dimension%neigd=',i4,')')
READ (1,*,ERR=200,END=200)
READ (1,912,ERR=200,END=200) dimension%msh,dimension%nstd
IF (mpi%irank.EQ.0) WRITE (6,1012) dimension%msh,dimension%nstd
912 FORMAT (21x,i4,6x,i2)
1012 FORMAT(6x,'parameter (dimension%msh=',i4,',dimension%nstd=',i2,')')
READ (1,*,ERR=200,END=200)
READ (1,913,ERR=200,END=200) dimension%ncvd
IF (mpi%irank.EQ.0) WRITE (6,1013) dimension%ncvd
913 FORMAT (22x,i3)
1013 FORMAT(6x,'parameter (dimension%ncvd=',i3,')')
READ (1,*,ERR=200,END=200)
READ (1,915,ERR=200,END=200) vacuum%layerd
IF (mpi%irank.EQ.0) WRITE (6,'(6x,''parameter(vacuum%layerd='',i3,'')'')') &
& vacuum%layerd
915 FORMAT (23x,i3)
READ (1,*,ERR=200,END=200)
READ (1,916,ERR=200,END=200) atoms%nlod,atoms%llod
IF (mpi%irank.EQ.0) WRITE (6,1016) atoms%nlod,atoms%llod
916 FORMAT (22x,i3,6x,i3)
1016 FORMAT(6x,'parameter (atoms%nlod=',i3,',atoms%llod=',i3,')')
!-odim
IF (oneD%odd%d1) THEN
READ (1,*,ERR=200,END=200)
READ (1,917,ERR=200,END=200) oneD%odd%mb,oneD%odd%M,oneD%odd%m_cyl,oneD%odd%chi,&
& oneD%odd%rot,oneD%odd%nop,oneD%odd%n2d,oneD%odd%d1
IF (mpi%irank.EQ.0) WRITE (6,1017) oneD%odd%mb,oneD%odd%M,oneD%odd%m_cyl,oneD%odd%chi,&
& oneD%odd%rot,oneD%odd%nop,oneD%odd%n2d,oneD%odd%d1
917 FORMAT (20x,i3,4x,i3,7x,i3,5x,i3,5x,i3,5x,i3,5x,i6,4x,l1)
1017 FORMAT (6x,'parameter (vM=',i3,',MM=',i3,',m_cyl=',i3,&
& ',chi=',i3,&
& ',rot=',i3,',sym%nop=',i3,',stars%ng2=',i6,',d1=',l1,')')
!+odim
END IF
dimension%nspd=(atoms%lmaxd+1+mod(atoms%lmaxd+1,2))*(2*atoms%lmaxd+1)
CLOSE (1)
IF (mpi%irank.EQ.0) THEN
INQUIRE (file='inp',exist=l_inpexist)
IF (.not.l_inpexist) THEN
INQUIRE (file='input',exist=l_inpexist)
IF (.not.l_inpexist) THEN
CALL juDFT_error("no inp- or input-file found!",calledby&
& ="dimens")
ENDIF
! CALL inp_gen()
ENDIF
WRITE (6,*)
CALL first_glance(&
& n1,n2,n3,n5,n6,input%itmax,&
& L_kpts,l_qpts,ldum,n7,n8,N10)
!
IF (n1>atoms%ntype) CALL juDFT_error("atoms%ntype too small in fl7para" ,calledby ="dimens")
IF (n2.LT.24) THEN
IF (n2>sym%nop ) CALL juDFT_error("sym%nop too small in fl7para" ,calledby ="dimens")
ENDIF
IF (n3>atoms%nat ) CALL juDFT_error("atoms%nat too small in fl7para" ,calledby ="dimens")
IF (n5>atoms%nlod ) CALL juDFT_error("atoms%nlod too small in fl7para" ,calledby ="dimens")
IF (n6>vacuum%layerd) CALL juDFT_error("vacuum%layerd too small in fl7para" ,calledby ="dimens")
IF ((.not.l_kpts).OR.(.not.l_qpts)) GOTO 201
ENDIF
RETURN
200 CONTINUE
CLOSE (1)
#ifdef CPP_MPI
CALL MPI_BARRIER(mpi%Mpi_comm,ierr)
#endif
......
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