[Wien] spacegroup p31m

[Michael Gurnett]

Thanks. Yes I was using :FOR

Michael
----- Original Message ----- 
From: "Stefaan Cottenier" <Stefaan.Cottenier at fys.kuleuven.be>
To: "A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at>
Sent: Thursday, September 08, 2005 3:03 PM
Subject: Re: [Wien] spacegroup p31m



> Is there an easy way of recovering the freedom of z or do I need to
> go to a  P1 symmetry

If indeed you were looking at :FOR and not :FGL, then there is no
problem at all, just a wrong interpretation by you. The freedom in the
z-direction is really there.

Stefaan


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