implicit real*8 (a-h,o-z) dimension dump(20),num(2),x(100),y(100),z(100),chg(100,100,800) dimension chgt(1000),a(3,3) write(6,*) 'Spin polarized calculation? (no=1, yes=2):' read (5,*) ispin write(6,*) ' enter the cutoff of charge density ' read(5,*) chgcut open(15,file='PARCHG') open(7,file='parchg-cut') read(15,1) dump write(7,1) dump read(15,*) scale write(7,199) scale do i=1,3 read(15,*) (a(i,j),j=1,3) write(7,199) (a(i,j),j=1,3) 199 format(3f10.5) enddo 1 format(20a4) aa=sqrt(a(3,1)**2+a(3,2)**2+a(3,3)**2) read(15,2) num(1),num(2) write(7,2) num(1),num(2) 2 format(2i4) ity=1 if (num(2) .gt. 0) ity=2 natm=0 do i=1,ity natm=natm+num(i) enddo read(15,1) dump write(7,1) dump zero=0.0 do i=1,natm read(15,*) x(i),y(i),z(i) write(7,*) x(i),y(i),z(i) enddo read(15,1) dump write(7,1) dump do 600 is = 1,ispin read(15,*) nx,ny,nz write(7,*) nx,ny,nz nn=nx*ny read(15,*) (((chg(i,j,k),i=1,nx),j=1,ny),k=1,nz) do i=1,nx do j = 1,ny do k = 1,nz if (chg(i,j,k) .gt. chgcut) chg(i,j,k) = chgcut enddo enddo enddo write(7,5) (((chg(i,j,k),i=1,nx),j=1,ny),k=1,nz) 5 format(5(e12.4,1x)) if (is .eq. 2) go to 600 read(15,1) dump write(7,1) dump 600 continue stop end