[½»Á÷] ¡¾ÇóÖú¡¿3DÔ­×Óͼ ÒÑÓÐ2È˲ÎÓë

program poscarconvert
implicit none
character(len=79) :: filename
character(len=79) :: newfile
logical alive

write(*,*)"filename?"
read(*,*)filename
write(*,*)"file write to?"
read(*,*)newfile
inquire(file=filename,exist=alive)
if(alive)then
call convert(filename,newfile)
else
write(*,*)"error"
end if
stop
end

subroutine convert(filename,newfile)
implicit none
character(len=79) :: filename
character(len=79) :: newfile
character(len=79) :: buffer
integer :: i
integer :: num
integer :: spice
real :: xyz(3)

open(unit=10,file=filename,access="sequential",status="old")
do i=1,7
read(10,*)buffer
end do
open(unit=11,file=newfile,access="sequential",status="new")
write(11,*)"128"
write(11,*)"SiC"
do i=1,128
read(10,*)num,spice,xyz(1),xyz(2),xyz(3)
!xyz(1)=xyz(1)/11.97232152
!xyz(2)=xyz(2)/11.97232152
!xyz(3)=xyz(3)/11.97232152
if(spice.eq.1)then
write(11,*)"Si",xyz(1),xyz(2),xyz(3)
else
write(11,*)"C",xyz(1),xyz(2),xyz(3)
end if
end do
close(10)
close(11)
return
end