[Wien] problem_phonon_lapw

[Peter Blaha]

Please use the updated  phonon2wien2k_sym.f (put it into SRC_phonon and issue "make".

ritabrata bhowmick schrieb:
> Wien Users,                    I have a problem with phonon_lapw. The system is kaolinite i,e triclinic (space group 1_P1_)  a=5.155, b=8.945, c=7.405 and α=91.7, β=104.862, γ=89.822. The system is a supercell  (1x1x1) with 34 atoms. The .d45 file is transferred to WIEN2k with the above input .After init_phonon_lapw 204 cases are generated and case_100 to case_204 does not contain any structure file.I don’t know whether this is an error.
> Please suggest a solution to this problem.Thank you.                                                                                             Ritabrata
> _______________________________________________Wien mailing listWien at zeus.theochem.tuwien.ac.athttp://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

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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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