Dear Prof. Blaha,
I would like to know if TPSS-H-Fock-alpha and other hybrid functional
calculations automatically switches on -orb. This is because I see that a
case.inorb(c) is created when running "runsp_lapw -eece (-so)....." but the
fourth and fifth lines do not conform to any of the ORB options in section 7.2.
Secondly when running hybrid calculations should the NR2V in case.in0 below be
changed to EECE?
------------------ top of file: case.in0 --------------------
TOT 13 ! MULT/COUL/EXCH/POT /TOT ; VXC-SWITCH
NR2V IFFT 8 ! R2V EECE/HYBR IFFT LUSE
30 30 108 4.00 min IFFT-parameters, enhancement factor
------------------- bottom of file ---------------------------
Thank you.
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