[Pw_forum] Langevin dynamics

[Mahya Zare]

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 <ustc.scgyer at gmail.com> wrote:

>
> On 20 August 2015 at 00:40, Venkataramana Imandi <
> venkataramana.imandi at gmail.com> 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
> ===================
>
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