Sent to CCL by: "Safiya Ess Amer" [amersaf85||yahoo.com]
Hello.
Please, how can I use ghost atom with Cartesian coordinates?
I have system of H2-Fe(OH)3 and use G03W for getting energy as function of
more distances (Z) from center of H2 to Fe atom. I am calculating now each
value of energy at some distance manually. I need to put ghost atom at center
of H2, how can I do that to get PES.
Can anyone help me in input file?
I have geometry of the system.
Thanks in advance
Safiya Amer
amersaf85]^[yahoo.com