[Wien] XCPOT3-error in lapw0 calculation
yukihiro_okuno@fujifilm.co.jp
yukihiro_okuno at fujifilm.co.jp
Tue Nov 28 13:28:50 CET 2006
Dear Wein2K Users.
I'm now starting the Wien2K calculation.
But in the process of lapw0,
I had met the error message
like
XCPOT3-error.
in lapw0.error file, it said that
'SETFF1' - ifft too small in xcpot3
'SETFF1' - 2*(KKK+1) LARGER THAN IFFT PARAMETERS IN XCPOT3
'SETFF1' - KKK= 0 46 1
'SETFF1' - IIx= 0 46 1
'SETFF1' - IFFT= 90 90 90
What is problem about this error and how should I correct my input file.
Sincerely.
Yukihiro Okuno.
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