[Wien] x sgroup

[Gavin Abo]

> I am facing a problem in x  sgroup of orthombhic phase CaTiO3, space group 62 Pbnm.

Do you mean the "warning" message from case.outputsgroup in w2web:

warning: !!! Struct file is not consistent with space group found.
sgroup found: !!! Struct file is not consistent with space group found. 
Number and name of space group: 62 (P n m a)

I guess you could ignore it and proceed on, or the safer option should 
be to convert Pbnm to its Pnma form by clicking "Yes" to use the 
struct-file generated by sgroup.