[Wien] eigenvectors not generated in output1 after runphonon

[Marco Schowalter]

Chandrika wrote:

>Hello Wien users, 
>I posted the following question to the mailing list but did not get any answer. I repeat here with some additional information:
>I generated a supercell of SiC (2x2x2, 64 atoms) using Phonon and successfully ran init_phonon_lapw for it. However,the next stage, which is run_phonon stops after lapw0 and the error message reads 'error in lapw1'.
>I have tried this with a smaller supercell (1x1x1, 8 atoms) keeping allother inputs same and could successfully complete run phonon and analyse phonon. 
>So why am I having a problem with this larger cell?
>I would like to add that the .output1 does not complete with SiC222. Eigenvalues are not generated. I tried to post the case_1.output1 file but it was not accepted by the Wien server.
>Your suggestions would be most appreciated. since I have been stuck with this for long
>Thank you in anticipation
>Chandrika
>  
>

Hello Chandrika,

probably you could send one of the struct files you use for the 
calculation of the 2x2x2 supercell.

Cheers

Marco


>  
>
>------------------------------------------------------------------------
>
>_______________________________________________
>Wien mailing list
>Wien at zeus.theochem.tuwien.ac.at
>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>  
>


-- 
----------------------------------------------------------
Dr. Marco Schowalter
Bureau M.4180
IFP - University Bremen
Otto-Hahn-Allee 1
28359 Bremen
GERMANY
Tel: ++49 (0)421 218 3566
Fax: ++49 (0)421 218 7381
Email: schowalter at ifp.uni-bremen.de

----------------------------------------------------------
Please avoid sending me MS-file attachments.
See http://www.gnu.org/philosophy/no-word-attachments.html
Thank you.
----------------------------------------------------------