[Wien] lapw7

Yundi Quan quanyundi at gmail.com
Tue Jan 15 11:04:19 CET 2013


Hi, Gavin,
Thanks for you reply. It helps a lot.

Yundi

On Mon, Jan 14, 2013 at 5:55 PM, Yundi Quan <quanyundi at gmail.com> wrote:

> Hi,
> I used the following input file for lapw7. But I got an error message
> saying 'ERROR: UNKNOWN UNITS OPTION'. In the userguide, units can be ANG,
> AU or ATU. I tried all of them. But none of them worked. Can anyone offer
> me any suggestions?
>
> 3D RTHO
> 0 0 0 2
> 3 0 0 3
> 0 3 0 3
> 0 0 3 3
> 141 141 141 25 25 25
> NO
> RE    ANG    LARGE
> 1 0
>
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