[Wien] 'Plane waves exhasted' error

[Hiroshi Nakano]

Dear WIEN2k developers and users,

I have a question of SCF-calculation.

I met an error in SCF calculation of YAG(Yittrium Alminium Garnet).
YAG has a relatively large unit cell but highly symmetric garnet structure.

Althogh, I succeded to do SCF calculation for the same YAG with the cell
parameters from X-ray crystallography,

I met an error of 
Error in LAPW1
 'LOPW' - Plane waves exhausted
when I expand the cell parameters of YAG just 1%.

Increasing RKmax from 7.0 to 8.0 did not avoid the error.
Do you know what kind of problem occurs when the errors occur ?

Attached files are the structure files with and without the error described
above.

Thank you.
Best Regards,


--
Hiroshi Nakano
Chiba, Japan
E-mail: hiroshi.nakano at sharp.co.jp
Tel: 04-7135-6215　Fax: 04-7135-6296


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