Dear Yusuf, once you have the atomic positions you just have to follow example01 (PW/examples/). The documentation for the input file can be found here http://www.quantum-espresso.org/?page_id=876 and here http://www.quantum-espresso.org/?page_id=878
best regards Layla 2012/6/25 Yusuf Zuntu <yzunt at yahoo.com> > Hi All. > I am new to Quantum Espresso and I would like to know how I can create > input files for graphene to calculate its density of state, band structure > and other propeties associated with the graphene. Thank you > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120625/10fcb00c/attachment.htm
