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