VASP Tutorial: Atoms, molecules and bulk systems - NERSC
• The initial charge density corresponds to the charge of overlapping atomic charge densities (from the POTCAR file). For 4 steps the charge density was kept fixed, thereafter it was updated (see the rms(c)column). The oxygen atom (ex.: O atom) The main output of VASP is written to the OUTCAR file. It contains several section, ................
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