[Wien] lapw0 error in scf

[马超]

Dear Wien2k users,

I am trying to perform calculations for the transition metal oxides, using the Version 7.2. After initialized successfully, it stopped at the lapw0 with the error in lapw0.error:
 'SETFF1' - ifft too small in xcpot3
 'SETFF1' - 2*(KKK+1) LARGER THAN IFFT PARAMETERS IN XCPOT3
 'SETFF1' - KKK=   0  50   0
 'SETFF1' - IIx=   0  50   0
 'SETFF1' - IFFT= 120 100 120

According the suggestions in the mailinglist, I increased GMAX from 12 to 14, but the error sill occured. If I increased the ifft parameter in case.in0 which was automatically set, it worked well. According to the usersguide, the ratio of the three numbers for ifft parameter should be indirect proportional to the lattice parameters. However, the program worked well if the changed ifft parameters didn't satisfy the required ratio. So, my question is how to properly set the ifft parameters if the scf stops with the parameters automatically set? 
Thank you in advance for your suggestions

Sincerely
Chao Ma
------------------------------
Beijing Laboratory of Electron Microscopy 
Institute of Physics 
Chinese Academy of Sciences

　　　　　　　　cma at blem.ac.cn
　　　　　　　　　　2007-07-07