What you have changed will almost certainly not help. What are the RMTs,
the case.struct file and other parameters. Without this information it will
be very hard to help you.

Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
Corrosion in 4D http://MURI4D.numis.northwestern.edu
Partner of the CFW 100% gender equity project, www.cfw.org/100-percent
Co-Editor, Acta Cryst A

On Jun 21, 2016 00:50, "GOUTAM KUMAR GUPTA" <pg201381...@iitj.ac.in> wrote:

> Dear Wien2K users
> I am simulating one quaternary semiconductor Cu2ZnSnS4. I am currently
> facing QTLB- error problem with with Cu atom. I have changed parameter as
> per your suggestion given in the frequently asked question. So i modified
> RMT value, Lmax , E parameter and also i also redued the RMT initially in
> the force minimization upto 5%. but still i am facing the same problem
> during the scf run. I have modified the case,in1c file upto this lebel.
> WFFIL  EF= 0.50000       (WFFIL, WFPRI, ENFIL, SUPWF)
>   6.00       14    4 (R-MT*K-MAX; MAX L IN WF, V-NMT
>   3.0    4  0      (GLOBAL E-PARAMETER WITH n OTHER CHOICES, global APW
> So please tell me about what is the maximum and minimum criteria of these
> RMT value, Lmax , E parameter and also tell me about how these parameters
> will effect the ground state properties.
> Thanks
> --
> *Goutam Kumar Gupta*
> *Mob:8561995547*
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