Monday, 7 May 2012

How to do ECP using GAMESS

Dear GAMESS users, I am try to dopped small atoms like H, Li etc on optimized gold clusters. But I have very little idea about ECP. Will you please tell me how this ECP is done using GAMESS., do you prefer any specific literature survey and kindly send me any simple input for ECP...

With regards,
Debajyoti

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