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
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 wrote:
> Dear Ahmad Sir
>I have not done step 2 i.e. removing of TiC.struct
> file and renaming supercell structure
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