[Wien] lapw2 error

[Peter Blaha]

Not with this information.

On 10/29/2014 09:46 AM, Wanxiang Feng wrote:
> Dear Prof. Blaha,
>
> I used Wien2k_14.2 to calculate the electronic structure of LaSbTe3 with
> the spin polarized case and SOC.  The standard flow is:
>
> init_lapw -b -sp -numk 2500
> runsp_lapw -p
> initso_lapw
> runsp_lapw -p -so
>
> The “runsp_lapw -p" can normally finish, but the "runsp_lapw -p -so"
> always gives a error “L2main - QTL-B Error”.
>
> I have searched the mailing list and tried many times to adjust the
> linear energy of every atom, but I never succeeded.
>
> Attachment is the structure file, could you help me to find out the reason?
>
> Thanks in advance.
>
> W. Feng
>
>
>
>
>
>
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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/staff/tc_group_e.php
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