[Wien] Two questions regarding volume optimization

2011-06-09 Thread shamik chakrabarti
On Wed, Jun 8, 2011 at 11:24 PM, shamik chakrabarti wrote: > Dear wien2k users, > > Lattice param. optimization can be done by using > different kind of scripts as implemented in wien2k. Now there is an option > corresponding to orthorhombic lattice:: > >

[Wien] Two questions regarding volume optimization

2011-06-08 Thread shamik chakrabarti
Dear wien2k users, Lattice param. optimization can be done by using different kind of scripts as implemented in wien2k. Now there is an option corresponding to orthorhombic lattice:: [6]VARY A, B and C (3D-case) (orthorhombic lattice) Now my questi