[Pw_forum] Prep CI-NEB analysis for Espresso

[Jack Shultz]

I am attempting to simulate a H2O2 redox to O2 and H2O such as this
2 H2O2 --> O2 + H2O

I'm not sure exactly what I'm doing here. I'm trying to apply example 17
(proton transfer) to another reaction so I can understand how this works. If
you got a better reaction for me to learn on, I'm all ears.

I tried a couple pseudo potentials for Oxygen. Here are parameters for
Atomic species which I used
ATOMIC_SPECIES

H 1.00794 HUSPBE.RRKJ3

O 15.9994 O.LDA.US.RRKJ3.UPF
Then I get this error when I run it.
Warning: card O  15.9994  O.LDA.US.RRKJ3.UPF ignored
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from read_cards : error #         1
     wrong index in ATOMIC_POSITIONS
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     stopping ...
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