[Wien] TEMP weights for optics

[Peter Blaha]

For sure I know that you really need a "tetrahedral" k-mesh, since joint 
uses the tetrahedron method.
And these weight files are used in joint/arbdos.f (FC), which is a 
tetrahedron-integration routine.

Maybe it would work with weights generated from TEMP too ?

georg at chem.au.dk schrieb:
> Hi all
> 
>  I was trying to simulate the influence of temperature on the optical
> conductivity. As far as I understand the simplest way to do this would be to
> simply rerun joint with different weight files corresponding to different fermi
> functions. 
> 
> However, I can see that lapw2.F only outputs the weight files if the 
> TETRA,ROOT or ALL  integration routines. Alas using TEMP doesn't give a weight
> file. Is there any reason for this?
> 
>  Best wishes
>    Georg

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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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