Dear Exparts,

I have following two question related to structure file.

1> my  struct file for lattice F  is constructed form 3 NONEQUI atoms and
using Fd3m space group. case.struct file contain 14 atom position, first
NONEQUI having multiplicity 2 and second having MULT=4. now i want to make
all the atoms in the first and two NONEQUI atom set are NONEQUI means i
want specify the atom no for each.

5> how one would do the above FCC structure to CUBIC structure calculation?
In my case FCC structure having basis of 14 atom so  for cubic you need to
generate 56 atom basis.

Thanks in advance
*Soumen Kumar Bag*
*Physical Science Dept.*
Wien mailing list

Reply via email to