在2010-01-05?18:19:15，"ZhengPing?Fu"?<f...@ustc.edu.cn>?写道：
>Dear?Siesta?Users
>
>I?try?to?geo-optimize?TiO2(101)?slab,?the?input?file?and?output?file
>are?attached.?
>In?the?input?file,?I?use?the?Zmatrix?format?and?keep?some?of?the?atoms
>immobile?and?others?movable.?However,?the?coordinates?of?the?movable?atoms
>change?to?zero?after?the?"CG?move?=0",?then?the?process?is?broken.
>I?wonder?what's?wrong?in?my?input?file,?any?suggestion?
>
>Thanks
>
>zhengping
>
>
>--
>
>Dept.?Mat.?Sci.?&?Eng.
>Univ.?Sci.?&?Tech.?China
>Hefei,?Anhui,?230026
>P.R.China
>f...@ustc.edu.cn,?...@seas.upenn.edu
I think there is a problem that you use Ang.in ZM.UnitsLength,so in %block
Zmatrix you should ues Ang.
