Dear Dr. Jose Luis Rodriguez-Lopez:
The two pseudopotentials used in one calculation must be created with
the same exchange-correlation energy.
yours Sun
> Au pb rel nc
> ATM3 23-JAN-04 Troullier-Martins
> 6s 1.00r r= 2.44/6p 0.00r r= 2.95/5d10.00r r= 2.00/5f 0.00r r= 2.29/
> 4 3 1212 0.313766098312E-04 0.125000000000E-01 11.0000000000
>
> Pd ca rel pcec
> ATM3 12-MAY-05 Troullier-Martins
> 5s 0.00r r= 2.27/5p 0.00r r= 2.45/4d10.00r r= 1.66/4f 0.00r r= 1.98/
> 4 3 1169 0.538859168841E-04 0.125000000000E-01 10.0000000000
>
> Should they be generated within the same scheme for to be used in
> the same calculation?
>
> Any comments on this would be very appreciated.....
> JoseLuis
>
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