Can anyone help me to make scf calculation input file in quantum espresso for flat type single atom layer CeO2 nanosheet?
On Mon, Aug 24, 2015 at 6:08 PM, xiaochuan Ge <[email protected]> wrote: > > On 20 August 2015 at 00:40, Venkataramana Imandi < > [email protected]> wrote: > >> Venkataramana > > > Dear Venkataramana, > > I have some experience using the Langevin code. Before we go further to > understand your problem, I would suggest you to significantly lower the dt > and try again. Please try dt=0.2 instead of 20. If it still does not work, > please let me know. > > Best, > > =================== > Dr. Xiaochuan Ge (Giovanni) > Center for Functional Nanomaterials > Brookhaven national laboratory > =================== > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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