[Wien] XCPOT = 99 is available?

[Peter Blaha]

Of course, in lstart  there is no option=99.

In lapw0 you can use 99 in case.in0 and in my tests it runs without 
problems.

 > x lapw0 error happened.

What should I do with this information ???

On 07/11/2013 10:38 AM, Chang-Jong Kang wrote:
> Dear Prof. Blaha and Wien2k users,
>
> I found that some exchange-correlation functionals are available but
> init_lapw dose not show them.
>
> The list of them is in the "vxclm2.f" source file in SRC_lapw0.
>
> Among them, IGRAD = 99 is Exc and Vxc = 0.
>
> I tried the # 99, x lstart error happened.
>
> When I again initialized it with XCPOT = 5 (LSDA) and then changed XCPOT
> to 99,
> x lapw0 error happened.
>
> My question is, how to use XCPOT # 99 (Exc and Vxc = 0).
>
> Is there any trick to use it?
>
>
> Regards,
> Chang-Jong Kang
>
>
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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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