[Wien] Fwd:

[mandeep hooda]

---------- Forwarded message ----------
From: mandeep hooda <mandeep103 at gmail.com>
Date: Thu, Dec 31, 2015 at 9:51 PM
Subject: Problem in running supercell calculations
To: wien at zeus.theochem.tuwien.ac.at


Dear Wien2k users
                             I have constructed supercell of 2 x 2 x 2 for
TiC in the TiC structure file folder as given in the manual, and made
change in super structure file and saved. When I tried to run using the
command init_lapw, it started doing calculations for already solved TiC,
not for constructed supercell for doping. Then I made a separate folder for
supercell and tried to run it showed old super clmsum file missing and then
I copied file from TiC and still it is not working. So please guide me
properly and tell me step by step procedure for it
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