[Wien] error in mixer upon changed k-points

[Peter Blaha]

I guess it is a spin-polarized case and SO has reduced symmetry (either 
more non-equivalent atoms or at least less symmetry and thus more 
K-vector stars).

In principle, symmetso is supposed to handle this situation, but I've 
heared before that it does not work in all cases.

(or did you forget to "save_lapw" the non-so calculation ?

On 03/14/2014 12:48 PM, Elias Assmann wrote:
> Hi,
>
> I encountered the following error after generating a new klist:
>
> At line 968 of file mixer.F (unit = 22, file = 'svo.scf')
> Fortran runtime error: Sequential READ or WRITE not allowed after EOF
> marker, possibly use REWIND or BACKSPACE
>
> The klist changed in the course of ‘initso’.
>
> After I removed ‘*.clm*_old’, it seems to run fine.
>
> This is WIEN2k_13.1 compiled with gfortran.
>
>
>      Elias
>
>

-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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