[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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