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Dear sir,
I have a small cluster to run in vasp which has both negative and positive coordinates.
I need to put that cluster in the center of box in poscar file.
Please help me in poscar file.
For example:
cubic box:
1.0
30.0 0.0 0.0
0.0 30.0 0.0
0.0 0.0 30.0
S Cd
33 33
Cart
0.00000000 0.00000000 0.00000000
5.81800000 0.00000000 0.00000000
-5.81800000 0.00000000 0.00000000
0.00000000 5.81800000 0.00000000
0.00000000 -5.81800000 0.00000000
0.00000000 0.00000000 5.81800000
0.00000000 0.00000000 -5.81800000
2.90900000 2.90900000 0.00000000
-2.90900000 2.90900000 0.00000000
2.90900000 -2.90900000 0.00000000
-2.90900000 -2.90900000 0.00000000
2.90900000 2.90900000 5.81800000
2.90900000 2.90900000 -5.81800000
-2.90900000 2.90900000 5.81800000
2.90900000 -2.90900000 5.81800000
-2.90900000 -2.90900000 -5.81800000
0.00000000 2.90900000 2.90900000
5.81800000 2.90900000 2.90900000
-5.81800000 2.90900000 2.90900000
0.00000000 -2.90900000 2.90900000
5.81800000 -2.90900000 2.90900000
0.00000000 2.90900000 -2.90900000
5.81800000 2.90900000 -2.90900000
0.00000000 -2.90900000 -2.90900000
2.90900000 0.00000000 2.90900000
-2.90900000 0.00000000 2.90900000
2.90900000 5.81800000 2.90900000
2.90900000 -5.81800000 2.90900000
-2.90900000 5.81800000 2.90900000
2.90900000 0.00000000 -2.90900000
-2.90900000 0.00000000 -2.90900000
2.90900000 5.81800000 -2.90900000
-2.90900000 -5.81800000 -2.90900000
-1.45450000 -1.45450000 -1.45450000
4.36350000 -1.45450000 -1.45450000
-1.45450000 4.36350000 -1.45450000
-1.45450000 -7.27250000 -1.45450000
4.36350000 4.36350000 -1.45450000
-1.45450000 -1.45450000 4.36350000
4.36350000 -1.45450000 4.36350000
-1.45450000 4.36350000 4.36350000
4.36350000 4.36350000 4.36350000
1.45450000 1.45450000 -1.45450000
7.27250000 1.45450000 -1.45450000
-4.36350000 1.45450000 -1.45450000
1.45450000 -4.36350000 -1.45450000
-4.36350000 -4.36350000 -1.45450000
1.45450000 1.45450000 4.36350000
-4.36350000 1.45450000 4.36350000
1.45450000 -4.36350000 4.36350000
-1.45450000 1.45450000 1.45450000
4.36350000 1.45450000 1.45450000
-1.45450000 -4.36350000 1.45450000
4.36350000 -4.36350000 1.45450000
-1.45450000 1.45450000 -4.36350000
4.36350000 1.45450000 -4.36350000
-1.45450000 -4.36350000 -4.36350000
1.45450000 -1.45450000 1.45450000
7.27250000 -1.45450000 1.45450000
-4.36350000 -1.45450000 1.45450000
1.45450000 4.36350000 1.45450000
1.45450000 -7.27250000 1.45450000
-4.36350000 4.36350000 1.45450000
1.45450000 -1.45450000 -4.36350000
-4.36350000 -1.45450000 -4.36350000
1.45450000 4.36350000 -4.36350000
How can i centralize this cluster.
Thank u

Well, use some software, or, more simple here, add 15 to every x,y, and z coordinate...

Sir,
Dont u have any simple solutn for this as there are keywrd in cpmd "center molecule on" for this purpose.
There should be like that in vasp.
Can you please help me for this.
I dont find anything in vasp manual for this.

There are no routines in vasp developed for the manipulation with POSCAR. For this purpose use some other software (e.g. molden).
[ Edited Mon Apr 22 2013, 01:08PM ]

Dear sir,
Thank u very much for your guidance. Now i have used programming to add 15 to my coordinates so that they are all now in box.