[Wien] Requestion:Problem in Gap value??(semiconductor not mettalic)

[Peter Blaha]

As far as I know, KTP is a material for frequency-doubling due to 
non-linear optical effects. This implies, that there should be no 
inversion symmetry.
Consequently, the relevant file is case.in2c and not case.in2.

In fact, a case.in2 file should not even exist !

lsi

What do you see ?  case.in1c  and case.in2c  ???


On 09/28/2015 01:53 PM, Marzieh Gh wrote:
> Dear Laurence Marks
>
> I put 4 spaces before the 496 in case.in2, my problem Did not solve.
>
> please help me again
>
>
> --
> Marzieh Ghoohestani
> PhD Student of Computational Nano Physics
> Nano Research Center, Department of Physics
> University of Technology, Isfahan, Iran
>
>
>
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-- 

                                       P.Blaha
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