[Wien] problem with run phonon for 222 cell

[Chandrika]

Hello Wien users,
I constructed a 222 supercell of SiC (cubic) in phonon, transferred it to Wien and ran init_phonon_lapw. This was okay. But when I tried the next step, run_phonon (after modifying the script for 4 cases) the calculations stop after lapw0. The error file reads 
'ROTDEF' - no symmetry operation found.
 'ROTDEF' -    1   1 
This happens in all 4 cases. 
I have successfully done this on SiC 111 supercell using the same inputs which I list here below :
1) Optimised cell dimensions from Wien  as input for  PHONON and .d45 file read into Wien
2) RMT : 1.9
3) nn : 2.1
4) SiC 222 had 64 atoms but due to multiplicity it is reduced to 24. I get warnings for "mult not equal" "ityp not equal" and check outputnn file"
5)  The cell structure changes from the input FCC to P-type after  nn is run. 
6) In the option 'Do you want to use the new case_x.struct.nn file I gave "n".
7) I get further warnings "structure file is not consistent with the spacegroup found".
8) In spite of these dstart seems to run okay for all 4 cases.
Only when I start run_phonon the problem starts and the calculations do not proceed beyond lapw0.
I have tried many ways to resolve the problem but am still stuck.
Please help.
Thank you in advance
Chandrika
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Dr (Ms) Chandrika Varadachari
Raman Centre for Applied and Interdisciplinary Sciences
16A Jheel Road
Calcutta 700075
India
Tel : 91-33-24830029
Fax : 91-33-24180610
web : www.rcais.org.in
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