[Wien] eigenvectors not generated in output1 after runphonon

[Chandrika]

Dear Marco,
Thanks for the reply!
I tried with the same rkmax and kpoint you used (3 & 6 respectively). But 
again lapw stops after lapw0.
My Wien version is WIEN.05.5.
There are no other error messages.
I used NMATMAX= 5000 and NUME = 500.
It definitely looks like a size problem because the SiC 111 cell with 6 
nonequivalent atoms runs okay.
What values should I give to NMATMAX & NUME?
I have a 2GB RAM (P IV machine).
Thank you for your help once again.
Cheers
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: Wednesday, February 15, 2006 2:28 PM
Subject: Re: [Wien] eigenvectors not generated in output1 after runphonon


> 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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>
>
> -- 
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> Dr. Marco Schowalter
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