[Wien] L2-main-QTL-B-error

Ashwani Kumar ashwani.ism at gmail.com
Tue Apr 10 14:01:27 CEST 2018


I browsed through subscribers list for solution of the
"L2-main-qtl-B-error". Found threads on "L2-main-qtl-B-error". Atleast i
understood there is problem with the RMTs/L-value but how to correct the
same i am still not sure. Then "new scheme" used for lapw initialization
and then SCF executed successfully without any error. Is there any
difference between new scheme and old scheme of init_lapw. ?.

On Fri, Apr 6, 2018 at 9:13 PM, Ashwani Kumar <ashwani.ism at gmail.com> wrote:

> Hi,
>    Aimed to calculate EFG of Hafnia (monoclinic). Got error message
> "L2-main-QTL-B-Error". Please find the screenshots of Case.in1 file for
> convenience.
>
> thanks
> A. Kumar
>
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