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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