[Wien] L2main - QTL-B Error

[Peter Blaha]

In most cases where QL-B occurs, the case.struct file is wrong.

There are some cases (samll RMTs), where the default input can give 
problems.
I have described how to analyse qtl-b errors several times in the 
mailing list.

Just the message: qtl-b errors occur, please help; gives us no information.

And yes, the problems can occur only on certain k-meshes.

Am 27.12.2016 um 11:51 schrieb Rajneesh Chaurasiya:
>
> Dear Wien2k User,
>
> I initialized the 2D monolayer at different K points 4*4*1, 5*5*1,
> 6*6*1, and 7*7*1 and also varied the energy parameter 0.3 to 1.1 but
> when i gave the k points 8*8*1 then it gives the *L2main - QTL-B Error.
> *So i changed the E parameter from 0.3 to 1.1 and also the RKmax value
> varied from 7 to 6 but i could not initialize. so please give me idea
> why *L2main - QTL-B Error *is occuring by increasing the number of
> Kpoints how we can resolve this problem.
> --
> Thanks & Regards
> Rajneesh Chaurasiya
> Research Scholar
> IIT Jodhpur, India
> Mob. No. +91-9584499697
>               +91-7610950803
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:  http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>

-- 
Peter Blaha
Inst.Materials Chemistry
TU Vienna
Getreidemarkt 9
A-1060 Vienna
Austria
+43-1-5880115671