[Pw_forum] Improve convergence, slab and electric field.

Paolo Giannozzi giannozz at democritos.it
Fri Aug 27 19:42:06 CEST 2010

On Aug 27, 2010, at 19:06 , Guda Karthik wrote:

> The celldm(1) cannot be 1.0

actually it can be any value, as long as the primitive
vectors are consistent. Not a good idea, though. I
never understood why among the 1001 available
methods to specify a crystal cell, the most popular
are invariably the most awkward

Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222

More information about the users mailing list