Re: [SIESTA-L] LatticeParameters non-orthogonal unit cell

Mon, 13 May 2013 13:22:15 -0700 

Hi,

You should put LatticeParameters  in data block

LatticeConstant     1. Ang
%block LatticeParameters
4.6927 3.4283 5.137 90. 99.546 90.
%endblock LatticeParameters

Best regards,
Quan

On Mon, May 13, 2013 at 8:38 PM, Oleksandr Voznyy <[email protected]> wrote:

> LatticeConstant     1. Ang
> LatticeParameters  4.6927 3.4283 5.137 90. 99.546 90.
>

Responder a