[Wien] C2/m: strange behavior

mazin mazin at nrl.navy.mil
Thu Mar 13 20:45:54 CET 2014


Hi Xavier,

Thanks for your effort, but my problem is unrelated with the one you 
refer to.

I have two IDENTICAL struct files, differing only in numerical values 
for the lattice parameters (slightly), incidentally, both were generated 
by cif2struct, and one of them works and the other doesn't.

Xavier Rocquefelte <Xavier.Rocquefelte at cnrs-imn.fr> a écrit :

 > Dear Igor,
 >
 > Here is a nice reply from Peter (he did some time ago)
 >
 > www.mail-archive.com/search?q=C2%2Fm&l=wien%40zeus.theochem.tuwien.ac.at
 >
 > Indeed, for such space-group only one setting is working properly.
 >
 > Cheers
 >
 > Xavier
 >


More information about the Wien mailing list