[Wien] _home_gentai_WIEN2k_YIG_YIG-2

[Peter Blaha]

I cannot verify this.

Using your struct file and

init -b -numk 100
run i 1

it runs through without error.
There is a :WAR  LOPW-exhausted, had to reduce check ...; but this is 
perfectly ok.

Are you using the latest WIEN2k version ? In some older versions this 
case would produce an error.

Regards

On 09/11/2017 04:12 PM, xukuncug wrote:
> Dear professors:
>          We are the users of Wien2k soft in the Tsinghua University
> .China, There are some unsolved problem we have encountered，the problem
> is listed as following:
> we conducted Y3Fe5O12(garnet) scf calculation: but after run this
> 'run_lapw' code, it gives us the result which indicate there is
> calculation error
> Error in LAPW1
>  'LOPW' - Plane waves exhausted
> the attached files are all about input files.
> Thanks for your attention!
> best regards!
>
>
>
> --
> Kun Xu PhD Candidate
> School of Materials Science and Engineering
> National Center for Electron Microscopy in Beijing
> Cental for Nano and Micro Mechanics
> Tsinghua University, Beijing 100084, P. R. China
> Tel:+86 156-5625-6766
> E-mail: k-xu16 at mail.tsinghua.edu.cn
> <mailto:k-xu16 at mails.tsinghua.edu.cn>      xukuncug at 163.com
> <mailto:xukuncug at 163.com>
>
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WIEN2k: http://www.wien2k.at
WWW:   http://www.imc.tuwien.ac.at/TC_Blaha
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