[Wien] error in c/a optimization.

susanta mohanta susanta.phy at gmail.com
Sun Nov 21 08:12:58 CET 2010


Dear Wien2k users,

                            I am getting an error message like this while
c/a optimization of a hexagonal system. I could not figure it out what it
means ? Any suggestion will be appreciated.



Error in LAPW0

'SETFF1' - ifft too small in xcpot3

'SETFF1' - 2*(KKK+1) LARGER THAN IFFT PARAMETERS IN XCPOT3

'SETFF1' - KKK= 0 0 30

'SETFF1' - IIx= 0 0 30

'SETFF1' - IFFT= 36 36 60



with sincere regards

susanta
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