[Wien] space group with more than one origin choice

[Hyunjin Ko]

I'm trying to learn how to use wien2k program and there's no one to help me 
around me

so... please help!

I'was trying to generate the structure for Mn2As (tetragonal P4/nmm structure)
and this particular space group has more than one origin choices
however, in the structure generation window, I could only choose what the 
space group was .
and there's no option for me to choose what origin I select
when I let the program to run, it automatically selects the other origin 
which gives me the wrong structure

do I have to edit the structure file manually? or is there any other way?

thanks

Jin


Hyunjin Ko
Department of Chemistry
Iowa State University
3661 Gilman Hall
515-294-0284
jinizoa at iastate.edu