Hi George,
I cannot understand how you got this atoms.inp file where the core is
stated to be Co1 and there is only Fe. So, I cannot confirm the
crystal structure from a database.
My problem is solved. I understood that the ATOMS program implemented
in Arthemis and ATOMS 2.5 have some bugs
Hi Lisa,
The typo in the core atom does not affect the result if run in Artemis. I
think I now have a better grasp of why atoms cannot run my structure
correctly. The standard i2/c setting has a unique axis a, but the structure
in the input file below has a unique axis b. This appears to through
