Dear PW Forum,
I try to calculate the total energy of a compound by two packages?
a) PWscf Code (Pseudopotential)? ???b) Wien2k Code (Full-Potential)
The values that obtained for the total energy are:
PWscf: ?- 5706.6313 eV/cell
Wien2k: ?- 45633.14 eV/Cell
Why are different amounts of this quantity (Total Energy)?
?Thanks,
--
Romeda
Bhavnagar University Bhavnagar 364002 Gujarat India.
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