VASP计算中能量和力的一些贡献相

1、能量的贡献相

alpha Z and the Ewald energy define the electrostatic interaction of the ions in a compensating electron gas. The alpha Z component deals with the divergent parts (G=0). The following parts are the Hartree and exchange correlation energy as defined in the Kohn-Sham Hamiltonian. The entropy part stems from the smearing (using the free energy as variational parameter， electronic entropy)， EBANDS from Kohn-Sham eigenvalues， and EATOM is the reference energy for the potential (which is defined in the POTCAR file).

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2、力的贡献相

我个人认为和前面的差不多，需要去哈密顿量里面看定义