The error usually means that there is a wrong variable in the nameless control, the best way in this cases is to check the variable spelling/format here:
http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PW.html#idp49456 in your specific case, I think that prefix = C2B10H12, should be replaced with prefix = ‘C2B10H12', Giovanni > On 01 Apr 2015, at 20:29, [email protected] wrote: > > I am trying to do an scf calculation for p- C2B10H12 using my Mac notebook > with Lion (10.7) OS. As a basis for the file I have used example01 from > espresso-5.1.1 with adjustments because of the different material. The "gz" > file is attached to this email. > > The output of the file is also attached to the email and shows it will not > run as written. I have run this program on earlier versions of espresso > and realize the format has been changed and I have tried to modify my program > to match but have not been successful. I would very much appreciate help on > being able to make it run. > > My thanks for your help. > Amos Leffler run_example3.gz C2B10H12.scf.david.out > P.S. The CRASH file notes that the problem is in Namelists 5010. > <run_example3.gz><C2B10H12.scf.david.out>_______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum -- Giovanni Cantele, PhD CNR-SPIN c/o Dipartimento di Fisica Universita' di Napoli "Federico II" Complesso Universitario M. S. Angelo - Ed. 6 Via Cintia, I-80126, Napoli, Italy e-mail: [email protected] Phone: +39 081 676910 Skype contact: giocan74 ResearcherID: http://www.researcherid.com/rid/A-1951-2009 Web page: http://people.na.infn.it/~cantele _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
