[Pw_forum] Error in spin-polarized calculation

[Marcos Verissimo Alves]

Hi all,

I am trying to run a spin-polarized calculation on a carbon + hydrogen
system using two US pseudos from the pwscf page. However, the calculation
stops in the very beginning, with the following error:

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from cdiaghg : error #       126
     info =/= 0
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

What could be the trouble? I am attaching the input and output files for
your examination.

Thanks,

Marcos


-- 
Dr. Marcos Verissimo Alves
Post-Doctoral Fellow
Condensed Matter and Statistical Physics Sector
International Centre for Theoretical Physics
Trieste, Italy

--------

"So long and thanks for all the fish!"

Quoted from the dolphins of "The Hitchhiker's Guide to the Galaxy".
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