[Wien] [Wien2k User Group] Lattice stability in bcc, fcc and hcp and other crystal structures

[Stefaan Cottenier]

> Is there any way out to simultaneously optimize the lattice parameters and
> the internal coordinates in w2web? 

You might read the structure optimization notes at 
http://www.wien2k.at/reg_user/textbooks/ (in particular Sec. 5)

Stefaan