Suppose if i draw a linear Ga2s2 cluster in Gauss view,its shows in the input files ;their coordinate becomes shifted along 3 coordinate axis. My question is how can i draw this cluster along one axis?
Hi Amarjyoti,
Hope you've already found the solution. If not, here is a simple trick.
1. In Gaussview, first draw two Gallium and two Sulpher atom anywhere in the Builder window. Don't join them by bonds.
2. Go to Tools> Atoms List (or click the 'A' icon in the top panel) You'll open a new window called 'Atom list editor' (ALE), where present cartesian coordinate of each atoms will be present in 3 columns (header will be X Y Z for x,y,z coordinates of the respective atoms). If these are not there go to 'Column' in the top bar of ALE and click 'Cartesian Coordinates'.
3. You can easily edit this Cartesian coordinates to achieve your goal. Just click on the respective box (x,y or z) any type the coordinate as you wish.
4. e.g. All bond lengths of Ga2S2 is usually close to 2 Ang. (You'll optimize the structure so approximate length is fine). So, lets assume you want to align Ga2S2 along z axis, then change coordinates to something like,
X Y Z
Ga 0 0 0
S 0 0 2
Ga 0 0 4
S 0 0 6
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