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Dear Sir, Could I use vasp to calculate the heat formation? For Eaxample:
2Cu+ +2(OH)-1 = H2O + Cu2O + Heat. (In the solution)
If yes, How to obtain the Cu+, (OH)'s energy. Can I just set one copper atom in POSAR, and set 'NELECT=10 NOT 11'. About (OH)-1, We just set two copper atoms in POSCAR, and set 'NELECT=8 not 7' Is that right? Thanks for help. ?!

1) the stoichiometry of your eqn is wrong.
2) please be aware of
--) T=0K unless set otherwise (solution?)
--) I do not know how you plan to model the "solution", giving one Cu atom in POSCAR describes a single Cu atom (or ion) in the gas phase (Gamma only, large lattice parameters) or in Cu-bulk. The same holds for OH and H2O.
--) ionic systems (unless there is NO translational periodicity) are divergent (use the multipole correction modes for charged ions and clusters)

1) the stoichiometry of your eqn is wrong.
2) please be aware of
--) T=0K unless set otherwise (solution?)
--) I do not know how you plan to model the "solution", giving one Cu atom in POSCAR describes a single Cu atom (or ion) in the gas phase (Gamma only, large lattice parameters) or in Cu-bulk. The same holds for OH and H2O.
--) ionic systems (unless there is NO translational periodicity) are divergent (use the multipole correction modes for charged ions and clusters)

Thanks for the information!!!