[Wien] Regarding supercell calculations
mandeep hooda
mandeep103 at gmail.com
Fri Jan 1 12:22:52 CET 2016
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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