Dear QE Users, I am new to Quantum Espresso. My research focuses on optoelectronic properties observation of GaN nanowire.I need to get the band-structure of nanowire. As I am new to QE, I need to simulate a nanowire in qe, Now, Nanowires are 1D. Quantum espresso calculates actually periodic crystal. How can I prepare an input file for my nanowire ? Could you please anyone help me with some insight or example files maybe ? Or any suggestion on any specific GUI ?
On Sun, Oct 15, 2017 at 12:11 PM, Rajesh <creativeidlemi...@gmail.com> wrote: > Dear Prof Paulatto , > > Than you for your response. I need to use qe for openmpi as well openmp > but on separate workstations. I think openmp works better on multi-cpu pc > and openmpi on multi node clusters. I am right? > > Thank you. > > On Sun, Oct 15, 2017 at 12:42 AM, Lorenzo Paulatto <paul...@gmail.com> > wrote: > >> On 14/10/17 09:15, Rajesh wrote: >> > Dear Prof Giannozzi, >> > Thank you for your reply. But I need openmpi parallelization. >> >> openmpi is NOT OpenMP, the former is an open-source implementation of >> MPI, the later is shared-memory vectorization based on compile-time >> instructions. The first is required to run in parallel, you need both >> for huge number of CPUs. >> >> What do you need exactly ? >> >> -- >> Lorenzo Paulatto - Paris >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum@pwscf.org >> http://pwscf.org/mailman/listinfo/pw_forum >> > > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum >
_______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
