[Wien] Print out A_lm^{k+K} and B_lm^{k+K}

[Peter Blaha]

I think most likely these are "unnecessary" quantities. (otherwise you have to
dig into the code (SRC_lapw1 hamilt.F or hns.F) and print them).

What is probably useful are the A_lm,.. summed over K for each eigenvalue. You
need this when you need the wavefunctions for some further quantities.

You can print that in SRC_lapw2/l2main.F after uncommenting of some write-statements
and the ALM -modus. Please check the code (l2main.F) and search for ALM

Chia-Hui Lin schrieb:
> Dear Wien2k users:
>      I know those A_lm, B_lm and C_lm coefficients for local 
> orbitals are printed in the case. output1 file. But I am still wondering 
> if it is possible to print out all the A_lm^{k+K} and B_lm^{k+K} (in the 
> LAPW basis). This may be a little long list depending the numbers of k, 
> K and atoms. Thank you.
>     Best,
>  
>     Chia-Hui Lin
>  
> 
> 
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                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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