[Wien] energy cutoff between core and valence electrons (ecut)

[Michael Sluydts]

Hello Saurabh,

Nothing is affected. Ecut is only used as a threshold, so as long as you 
don't cross any new level (at -7 or -26 in this case). You will notice 
no difference.

Kind regards,

Michael Sluydts

saurabh samant schreef op 6/05/2014 22:28:
> Dear WIEN2k users,
> Plz refer to pg33 of DFT and family of lapw methods, 2nd ed. by
> S.cottenier. For Ag atom ecut was modified to -7.5 Ry to treat the 4s
> states as valence electrons. Is the calculation or any of the
> properties is affected if we change the ecut to -8 or -9 or any value
> between 3D and 4S orbitals (-7 to -26 Ry).
> Thanking you,
> yours sincerely,
> Saurabh Samant
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