[Wien] Regarding supercell calculations

2016-01-01 Thread mandeep hooda
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

Re: [Wien] Regarding supercell calculations

2016-01-01 Thread ahmad gharleghi
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