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 > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum >
