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Dear admin & users,
I wish to use the mBJ functional. Concerning the keywords to use, I wish to know whether, besides METAGGA=MBJ, LAPSH=.TRUE. and IBRION=-1, one should use, on the basis of a previously computed CHGCAR, ICHARG=11 or ICHARG=1. Previous messages on this matter in the forum do not clarify it, or are even contradictory.
I wish to know also if it is recommended to use the WAVECAR file (with ISTART=1) from the same previous calculation.
Many thanks in advance.

Hi,

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