If you can provide additional information, maybe someone can be of
further assistance.
For example ...
Is this happening with WIEN2k 19.2, as one of the items in the
"Nettiquette" list for the mailing list at [1] is "I am running wien
version xxx"?
[1] http://susi.theochem.tuwien.ac.at/reg_user/mailing_list/
Did you adjust case.int like in the post:
http://zeus.theochem.tuwien.ac.at/pipermail/wien/2008-November/011716.html
Did you rerun lapw1 like in the post:
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg07375.html
Have you investigated if NUME needs increased like in the posts:
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg06538.html
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg13006.html
http://zeus.theochem.tuwien.ac.at/pipermail/wien/2008-October/011543.html
On 11/4/2020 4:55 PM, delamora wrote:
Dear WIEN2k community,
I am doing Al2O3 and the DOS stops at 7eV, in the gap
In Al2O3.in1 I increased emax to 20.5 with no improvement
K-VECTORS FROM UNIT:4 -9.0 20.5 74 emin / de (emax=Ef+de)
/ nband
Pablo
--------------------
Struct;
Title
R LATTICE,NONEQUIV.ATOMS: 2 167_R-3c
MODE OF CALC=RELA unit=ang
8.256217 8.256217 22.287439 90.000000 90.000000120.000000
ATOM -1: X=0.35100000 Y=0.35100000 Z=0.35100000
ATOM -2: X=0.94199999 Y=0.55800000 Z=0.25000000
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