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

Ashwani Kumar ashwani.ism at gmail.com
Thu Apr 12 16:21:13 CEST 2018


thanks for highlighting the thread.

thanks
A. Kumar

On Tue, Apr 10, 2018 at 5:31 PM, Ashwani Kumar <ashwani.ism at gmail.com>
wrote:

> 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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