[Wien] Regarding supercell calculations
ahmad gharleghi
ah.gharleghi at gmail.com
Fri Jan 1 12:25:13 CET 2016
No, those parameter will remain unchanged and you do not need to be worry
about it.
On Fri, Jan 1, 2016 at 7:22 PM, mandeep hooda <mandeep103 at gmail.com> wrote:
> Dear Ahmad Sir
> I have not done step 2 i.e. removing of TiC.struct
> file and renaming supercell structure file. I'll do this step. I have one
> more question regarding these calculations. Do I need to set all parameters
> like rmt, energy cutoff,nn etc. again ?
>
>
>
>
> I am really grateful to you for the help Sir
>
>
> Thanks and regards
> Mandeep Kumar Hooda
>
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