Dear wien2k users,
I have calculated a structure of 66 atoms, however, when it run in lapw0, error was coming. Error in LAPW0 'SETFF1' - ifft too small in xcpot3 'SETFF1' - 2*(KKK+1) LARGER THAN IFFT PARAMETERS IN XCPOT3 'SETFF1' - KKK= 0 0 1 'SETFF1' - IIx= 0 0 1 'SETFF1' - IFFT= 20**** 2 Thanks a lot! Tuo Cai -- ▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲ Tuo Cai （Ph.D. candidate 2011） Materials Fatigue and Fracture Division, Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, 72 Wenhua Road, Shenyang, 110016, P. R. China Tel: +86-24-83978023 Email: tcai...@imr.ac.cn; tuo...@gmail.com ▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲
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