alat (Ang)       Etot (eV)
------------------------------
6.12             -1975.526018
6.14             -1975.531451
6.16             -1975.535169
6.18             -1975.53714
6.20             -1975.537384
6.22             -1975.535722
6.24             -1975.5324
6.26             -1975.527514

Your a is somewhere around 6.19


#  Equilibrium volume, a.u.^3 :  602.102908
which gives  a=8.44a0=4.46A
Andrei's tool cannot make such an error, so I'd expect that you converted to atomic units incorrectly.


#  Bulk modulus, Kbar         :   47.134730
GaSb zincblende  a=6.09593 Ang, B=57.0 GPa
It is typical for bulk modulus to be about 10% off expt value, plus or minus depends on GGA or LDA. (But since the lattice constant is wrong then this number is not correct anyhow).

Responder a