FERWE

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FERWE = [real array] 

Description: FERWE sets the occupancies of the states for ISMEAR=-2.


To set the occupancies, specify

 FERWE = f(1) f(2) f(3) ... f(NBANDS×Nk)

The occupancies must be specified for all bands and k points. The band index runs fastest. The occupancies must be between 0 and 1.

In the case of spin-polarized calculations (ISPIN=2), FERWE sets the occupancies of the states in the up-spin channel. Specify the occupancies of the states in the down-spin channel by means of the FERDO tag.


Mind: This method requires the use of POTCAR files from the PAW dataset version 52 or later.

Related tags and articles

FERDO, ISMEAR

Examples that use this tag