[Pw_forum] Quantum Espresso Lab using cp.x

[s305igun at mail.chem.itb.ac.id]

Dear Profesor Paolo Giannozzi,

Thanks for your reply.

I was studied the "Quantum Espresso Lab" from:
http://cms.mcc.uiuc.edu/wiki/display/ss2006/Quantum+Espresso+Lab+using+cp.x

It is true that the file ./h2o_mol_51.save/data-file.xml is not there.

So I try again to run cppp.x with edit "outdir" in h2o_mol.cppp-dens.in
and done

Thank you Prof. Paolo Giannozzi

Best Regards

rahmat gunawan
PhD student
Lab. of Theoretical and Computational Chemistry
Department of Chemistry
Institut Teknologi Bandung
West Java









> s305igun at mail.chem.itb.ac.id wrote:
>
>> I have problem when I run some example from examples_cp
>> (Quantum Espresso Lab using cp.x v.5)
>
> never heard about "Quantum Espresso Lab", even less about v.5 ...
>
>> ########################################################################################################################
>> # UNRECOVERABLE ERROR (ierr=1)
>> # ERROR IN: iotk_open_read (iotk_files.spp:479)
>> # CVS Revision: 1.2
>> # unit
>> file=.//h2o_mol_51.save/data-file.xml
>> binary=F
>> iostat=29
>> ########################################################################################################################
>
> file ./h2o_mol_51.save/data-file.xml is not there
>
> Paolo
> --
> Paolo Giannozzi, Democritos and University of Udine, Italy
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