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["Hugues Libotte" <h.libotte@ulg.ac.be>]

Dear All,

I would like to get your opinion about the problem I got. I am calculating
energy of several phases (under pressure) of InAs. Concerning the zinc-blende, I got the right equilibrium lattice parameter and the right bulk modulus. Concerning the NaCl phase I got results very consistent with previous works. However, when I put the two E(V) curves in the same picture the NaCl phase is the more stable (by 2 eV)... Surprising (!!!)  because the other high-pressure phase like b-Sn and CsCl are compatible with the NaCl curve position. The mistake should come from the ZB phase; but this is a strange mistake because the curve seems to be "simply" shifted... Why did I get this " shifted value" of the ZB curve ?
If you have some idea of the mistake I did, do not hesitate to send me to the right way ;-)

Best regards,

Hugues Libotte