[Wien] written coefficients in 3 times

[fatemeh.mirjani]

Dear Dr. Blaha;

Thank you very much for your guidelines. I read D.Singh's book and found the sentences about phase factors has attached for local orbitals. I have another question about these coefficients that must been attached to planewaves for LOs. Would you please explain me Why for "-1 -1 -1" (for example) at the end of these data, code has written coefficients in 3 times?
(Number of local orbitals:5)


RECIPROCAL LATTICE VECTORS (for carbon)
> 
>                     1.ENERGY   2.ENERGY   3.ENERGY   4.ENERGY   5.ENERGY   6.ENERGY   7.ENERGY
> 
>   -1  -1  -1
>                    0.122365   0.403507   0.009077  -0.303482   0.593421  -0.015253   0.113373
>    0   0   0
>                   -0.122365  -0.403507  -0.009077  -0.303482   0.593421  -0.015253   0.113373
>   -1  -1   0
>                    0.308082   0.047121   0.284146  -0.303482  -0.252181   0.455154   0.307367
>   -1   0  -1
>                   -0.327413   0.243847   0.105891  -0.303482  -0.251284  -0.522296   0.171167
>   -1   0   0
>                   -0.141697  -0.112540   0.380960  -0.303482  -0.089956   0.082395  -0.591907
>    0  -1  -1
>                    0.141697   0.112540  -0.380960  -0.303482  -0.089956   0.082395  -0.591907
>    0  -1   0
>                    0.327413  -0.243847  -0.105891  -0.303482  -0.251284  -0.522296   0.171167
>    0   0  -1
>                   -0.308082  -0.047121  -0.284146  -0.303482  -0.252181   0.455154   0.307367
>   -1  -1  -1
>                    0.000000   0.000000   0.000000   0.019880   0.000000   0.000000   0.000000
>   -1  -1  -1
>                    0.000000   0.000000   0.000000  -0.233643   0.000000   0.000000   0.000000
>   -1  -1  -1
>                   -0.007745  -0.015135   0.010907   0.000000   0.000000   0.000000   0.000000
>   -1  -1   0
>                   -0.004880   0.001919  -0.019507   0.000000   0.000000   0.000000   0.000000
>   -1   0  -1
>                    0.013759  -0.003851  -0.014279   0.000000   0.000000   0.000000   0.000000

-- 
Best Regards
Fatemeh Mirjani
Computational Condensed Matter Research Lab.
Affiliated ICTP Center,
Physics Department, Isfahan University of Technology, Iran
Email: f_mirjani at ph.iut.ac.ir 
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