geometrical optimization of metal surface

[Chanwoo Noh]

Dear Marcella Iannuzzi

As you mentioned, it seems that coordinates of Pt(111) surface is wrong. I 
will fix the coordinates.
You said that simulation cell is too small, how large cell should be used? 
Should I use at least several hundreds atoms for calculation?
At last, the "allowing fractional occupation numbers around the Fermi 
energy" means to use the smear option as follows?

&SMEAR ON
         METHOD FERMI_DIRAC
         ELECTRONIC_TEMPERATURE [K] 300
&END SMEAR

I really thanks for your kind answer.

Chanwoo
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