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7.30 NELECT

 

displaymath4635

Usually you should not set this line -- the number of electrons is determined automatically.

If the number of electrons is not compatible with the number derived from the valence and the number of atoms a homogeneous background-charge is assumed.

If the number of ions specified in the POSCAR file is 0 and NELECT=n, then the energy of a homogeneous LDA-electron gas is calculated.



MASTER USER VASP
Mon Mar 29 10:38:29 MEST 1999