[Wien] typing errors in struct_afm_check.f file. Re: changes of struct

[Lei Liu]

Dear Prof. Blaha,

There seem some typing errors in struct_afm_check.f file.
Two taul(1,l) taul(2,l) in the lines as below should be aul(1,j) taul(2,j).
After I modified them, everything goes fine.

Lei LIU


! reading input parameters : changing atoms
      read (5,*) jmax
      allocate (jatch(jmax,2),symmat(3,3,jmax),lmchm(jmax),lsym(3,3,jmax),taul(3,jmax))
      do 20 j=1,jmax
        read(5,*) (jatch(j,jx),jx=1,2)
        read(5,*) (symmat(1,i,j),i=1,3),(lsym(1,i,j),i=1,3),taul(1,l)
        read(5,*) (symmat(2,i,j),i=1,3),(lsym(2,i,j),i=1,3),taul(2,l)
        read(5,*) (symmat(3,i,j),i=1,3),(lsym(3,i,j),i=1,3),taul(3,j)
        read(5,*) lmchm (j)
           do iclm=1,lmchm (j)
!                    old-L,M   new-L,M  factor

-
> No, everything is working fine.
> 
> I used your struct file (.struct_origin:), init_lapw; x afminput 
> (with 
> translation (0.5,0.5,0.5)) and   cp case.inclmcopy_st case.inclmcopy
> (DON'T FORGET THIS !"!)
> 
> x struct_afm_check   (which is automatically executed in runafm) 
> does 
> not report any problem. Its case.outputstruct_afm_check file 
> contains 
> only lines: