[Pw_forum] How to read lattice constant from the output file of vc-relax

[Paolo Giannozzi]

On Tuesday 21 March 2006 03:16, 姚新欣 wrote:

> In the system block of the input file, there is a parameter "nosym".
> How does it affect the final results?

from the Doc/INPUT_PW file:

nosym          LOGICAL ( default = .FALSE. )
               if (.TRUE.) symmetry is not used. Note that a k-point grid
               provided in input is used "as is"; an automatically generated
               k-point grid will contain only points in the irreducible BZ
               of the lattice.  Use with care in low-symmetry large cells
               if you cannot afford a k-point grid with the correct symmetry.

Paolo
-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy