[Wien] eigenvectors not generated in output1 after runphonon

[Chandrika]

I have attached the case1.struct file.
Thank you
Chandrika
----- Original Message ----- 
From: "Marco Schowalter" <schowalter at ifp.uni-bremen.de>
To: "A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at>
Sent: Tuesday, February 14, 2006 1:52 PM
Subject: Re: [Wien] eigenvectors not generated in output1 after runphonon


> 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
>
>
>>
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>>
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>
>
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