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

Wien mailing list

Peter Blaha
Inst.Materials Chemistry
TU Vienna
Getreidemarkt 9
A-1060 Vienna
Wien mailing list

Reply via email to