[Wien] phonon calculations

[Peter Blaha]

analyze_phonon needs the complete directory structure (case_1,...) and in each 
dir also case_X.struct must be present (and complete !), not just the "saved" 
struct file.

Chandrika schrieb:
> Hello all,
> I ran a init_phonon for a graphite structure generated by Phonon 
> software. Then 12 directories were generated.
> I ran run_lapw for all these cases in differenr machines. I changed the 
> names of the case struct, clmsum and scf files to the gga_8_ etc and 
> brought them in one machine.
> However, analyse_phonon_lapw gives the message 'rotation not found'. It 
> produces dat & dsy files.but these have only a few lines. the .hff  file 
> is complete but hff_sym and case.out are blank. The finM file is incorrect.
> I am using Wien_05.
> Please help.
> Thank you in for your time,
> Chandrika 
> 
> 
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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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