[Wien] problem_phonon_lapw
ritabrata bhowmick
rito at rcais.res.in
Fri Mar 20 14:07:46 CET 2009
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
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