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Hi,

I would like to ask what VASP will do if I restart the calculation with CONTCAR and WAVECAR but with number of NBANDS less than that in the WAVECAR? I see that VASP reads the wavecar successfully in this case and mention the change in the number of bands.


In the case of adding extra bands, VASP will optimize these new bands.


Thanks

Hi,

If you set a smaller number of bands in the INCAR file than present in the WAVECAR, VASP will just read the subset of bands specified in the INCAR.