[Pw_forum] Need help with Supercell calculation
sayan chaudhuri
csayan895 at gmail.com
Thu May 4 06:01:29 CEST 2017
Hi all,
I am calculating DOS structure for a heusler alloy Fe2TiSb. When I am
not using a supercell I am getting the same result reported previously, but
after using a supercell I am getting very different result.
I am attaching the scf files and DOS output for both the cases. Please
tell me what mistakes I am doing while considering the supercell. The one
with _sup in the name, contains supercell.
Thanking you in advance,
Sayan Chaudhuri
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