[Wien] Problem about -band option in lapw2

[Peter Blaha]

The option -band is working with lapw2, but NOT together with -alm.

Its "normal usage" is just to create "case.qtl" for band-plotting.

If you really need   -alm, set FERMI-method to ROOT in case.in2.


On 06/21/2013 08:47 AM, 万博 wrote:
> Dear Wien2k users,
>            According to UG, -band opt is valid in lapw2.However, when I
> try to run:
>            x lapw2 -band -alm
>            It gives the error looks like:
> [bwan at physicshpc NiO]$ cat lapw2.error
> Error in LAPW2
>   'FERMI' - number of k-points inconsistent when reading kgen
>   'FERMI' - check IN1 and KGEN files!
>             Since the case.klist_band is working with spaghetti and
> irrep,I am not sure what the problem might be.Or could it be a wien2k bug?
>
>
>   Regards,
> Bo Wan
>
>
>
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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Email: blaha at theochem.tuwien.ac.at    WWW: 
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