Did you also change the energy range in case.int ???
Did you rerun x lapw1; x lapw2 -qtl; x tetra
AFTER you changed the case.in1 file ?
Am 07.11.2023 um 01:15 schrieb delamora:
Dear WIEN2k community,
To enlarge the DOS energy range, one has to enlarge the "de" in case.in1
------------
K-VECTORS FROM UNIT:4 -9.0 1.5 33 emin / de (emax=Ef+de) /
nband
de; 1.5 => 4.5
---------------
but the range increases to
"min" -12eV, max 7eV
is there a way to have
"min" -20eV, max 20eV
----------------
I tried
de; 1.5 => 4.5 => 20.5
for Fe and does not increase
Saludos
Pablo
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