[Wien] eigenvectors not generated in output1 after runphonon

[Marco Schowalter]

Dear Chandrika,

it was not a problem to converge the SCF cycles to a force convergence 
below 0.1 without an error message. Of course I used a low rkmax of 3 
and only 6 k-points in the irreducible Brillouin zone in order to get it 
rather fast converged. Which Wien version do you use? Can you find other 
errormessages? Which value has your NUME and your NMATMAX ? What system 
do you use? Does it run on your system for low rkmax?

Cheers

Marco

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
>
>  
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Dr. Marco Schowalter
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IFP - University Bremen
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Fax: ++49 (0)421 218 7381
Email: schowalter at ifp.uni-bremen.de

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