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I run vasp5.2 for the bandstructure of si,but the energy of atoms in ELGENVAL is larger than references. Please tell me the reason.Below are the main steps.
1.I optimized k-mesh, the result is 19
2.Then optimized the lattice constant and the coordinates of atoms.The INCAR includdes NSW=40 IBRION=2 ISIF=3 ,others are same as the files brefore.
3.I do a static calculation.Use the order "cat CONTCAR >POSCAR" modify the NSW=0 IBRION=-1 ISIF=2 ,others are the same as the files before.
4.amend the INCAR documents ,ICHARG=11
use strings of k-points for bandstructure calculations

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