[Wien] Error in LAPW0 (For volume change of +6%)

[Mojtaba Zareii]

Hi dear wien2k users
I want to simulate the LaNi5H7 compound. To do this, I first found the
optimum RKmax equal to 4.5. Then, For finding the equilibrium volume,
I used "Optimize Prog." (Gmax=18, MT radii of 2.35, 1.79 and 0.9 a.u.
for La, Ni, H atoms respectively.). The variation of volume was set as
-9, -6, -3, 0, 3, 6 and 9 in %.
During the optimization, the scf cycles were done successfully for -9,
-6, -3, 0, 3% volume changes, But the scf cycle was stop for +6% with
the following error:
Error in LAPW0
 'SETFF1' - ifft too small in xcpot3
 'SETFF1' - 2*(KKK+1) LARGER THAN IFFT PARAMETERS IN XCPOT3
 'SETFF1' - KKK=  30 -15   0
 'SETFF1' - IIx=  30 -15   0
 'SETFF1' - IFFT=  60  60  96
To solve the problem I also changed RKmax of 3.5 and 4, but the same
error stop the program in the same volume (+6 %).
Would you please help me with this problem?
Thank you
M. Zareii