[Wien] question about VZERO

Shruba Gangopadhyay shruba at gmail.com
Sat Aug 11 22:22:58 CEST 2012


Thanks a lot Dr Blaha.
Sincerely,
Shruba

On Fri, Aug 10, 2012 at 4:41 PM, Shruba Gangopadhyay <shruba at gmail.com>wrote:

> Dear Wien2k users,
>                                I have a question regarding definition of
> VZERO, what it meant by z=0.5. Is it the half way point of unit cell in the
> Z direction, or it is 0.5 to some other distances. We have a slab geometry
> and length of the vacuum and length of the unit cell are not same.
>                               Thanks for your help.
>                                Sincerely,
>                                Shruba
>
> --
> Shruba Gangopadhyay
> Postdoc Term Engineer - Computational Material Science
> IBM Research Division
> Almaden Research Center
> 650 Harry Road, San Jose, CA 95120
> Office: D1-242
> Phone: 408-927-1458
> Cell: 216-272-9471
>
> 'friendship doubles joys and reduces sorrows by half' (Francis Bacon).
>
>


-- 
Shruba Gangopadhyay
Postdoc Term Engineer - Computational Material Science
IBM Research Division
Almaden Research Center
650 Harry Road, San Jose, CA 95120
Office: D1-242
Phone: 408-927-1458
Cell: 216-272-9471

'friendship doubles joys and reduces sorrows by half' (Francis Bacon).
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