[Pw_forum] question about pwcond.x

[Gabriel Autès]

>
>>     ewind=1.d0,
>>     epsproj=1.d-3,
>>     nz1 = 1
>
> Most probably the calculation is not converged with respect to these
> three parameters. Try increasing ewind, decreasing epsproj and
> increasing nz1. Typical values are ewind=3.d0, epsproj=1.d-6, nz1=5 or
> 10
>
> Andrea
>

Ok, the calculation with these parameters gives a better band structure.

Thanks

-- 
================================================
Gabriel Autès      | phone:+33 (0)1 69 08 30 07
CEA Saclay         | fax : +33 (0)1 69 08 84 46
DSM/DRECAM/SPCSI   | email: gautes at cea.fr
Batiment 462       |
91191 Gif sur Yvette Cedex  FRANCE
================================================