[Pw_forum] How to read lattice constant from the output file of vc-relax
giannozz at nest.sns.it
Tue Mar 21 17:21:03 CET 2006
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 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
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