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
fts100.scf.in
Description: Binary data
fts100_dos.ps
Description: PostScript document
fts100.scf_sup.in
Description: Binary data
fts_dos_sup.ps
Description: PostScript document
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