[adf-list]瞄准计算

阿尔兰尤拉 ullaharslan在gmail.com
星期一9月10:53:43 Cest 2016

deat Fedor
Thanks alot

On Mon, Sep 5, 2016 at 1:05 AM, Fedor Goumans <goumans at scm.com> wrote:

> Dear Arslan,
>
> With the 2016 release this should be possibly via the 'Molecular Dynamics
> via ASE' preset in the GUI, which uses ASE for running the MD.
> You can set more details in the 'Model -> MD via ASE' pane.
> NVT and NVE dynamics are currently supported.
>
> Best wishes,
> Fedor
>
>
> On 9/4/2016 3:34 PM, Arslan Ullah wrote:
>
> Dear ADF users
> i need some help. can anybody tell how we can do the AIMED simulation (ab
> initio molecular dynamics) calculation using BAND GUI.
> i want to check the Li ion diffusivity in LiFePO4.
> Best Regards
> Arslan Ullah
>
>
> _______________________________________________
> ADFlist mailing listADFlist at scm.comhttps://lists.tofoba.com/mailman/listinfo/adflist
>
>
>
> --
> Dr. T. P. M. (Fedor) Goumans
> Business Developer
>  化学软件 & Materials
> Vrije Universiteit, FEW, Theoretical Chemistry
> De Boelelaan 1083
> 1081 HV Amsterdam, The Netherlands
> T +31 20 598 7625//www.tofoba.com//twitter.com/SCM_Amsterdam//www.linkedin.com/company/software-for-chemistry-&-materials
>
>
> _______________________________________________
> ADFlist mailing list
> ADFlist at scm.com
> //lists.tofoba.com/mailman/listinfo/adflist
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <//lists.tofoba.com/pipermail/adflist/attachments/20160905/92d40178/attachment-0001.html>


有关Adflist邮件列表的更多信息