[Wien] Total energy

[Donghui Guo]

Dear all wien2k users,

I am calculating a bulk structure with 9 atoms (4 inequivalent atoms) in one unit cell.
In the reference, the total energy of on unit cell is -54.06 eV (PRB 74,35414 2006), but the total energy I find in scf file is about -20302 Ry.
Why the total energy is so different?

Best regards, 
Yours, 
Donghui Guo
2009-02-03


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Donghui Guo 
Catalysis Research Center (CRC)
Hokkaido University
21-10 Kita, Sapporo 001-0021
Japan
dhguo at cat.hokudai.ac.jp
TEL: +81-11-706 9114 (office)
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