In fact, the simulation runs but gives warnings. So if you are asking if
SIESTA would run, it will, but the ressults probably would not be very
good.
Best Wishes
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On Fri, 24 Jun 2005, Sun ShaoRui wrote:
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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