[Pw_forum] Acceptable error in cohesive energy

[udayagiri sai babu]

Dear PWSCF users
I calculated the cohesive energy for aluminium using GGA potential, which
came out to be 3.59 ev/atom. When i compared this value with that of given
in Kittel (3.34ev/atom) the error is 7.5%. Here i would like to know how
much error in cohesive energy is acceptable and also if somebody can comment
on error tolerance in lattice parameter and Bulk modulus (for GGA as well as
LDA) as well it would be nice.
Thanks in advance

-- 
U.Saibabu
PhD student,
Deformation mechanisms modeling group,
Materials engineering department,
IISc Bangalore,
India.
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