Is the file CuBr2C6H7N2hy.corewf empty? If yes, then it probably means that the value of the "IPRINT" in CuBr2C6H7N2hy.inc are 0 instead of 1 (see user's guide). CuBr2C6H7N2hy.corewf is the file which contains the core orbitals.
Be careful that hybrid functionals are several orders of magnitude more expensive than LDA/GGA. F. Tran On Mon, 29 Feb 2016, rahn...@hsu.ac.ir wrote:
Dear Wien2k users: For Hybrid functional (HF) calculations, I have faced with this error: LAPW0 END LAPW0 END LAPW1 END LAPW2 END CORE END Forrtl: severe (64): input conversion error, unit 29, file /home/CuBr2C6H7N2hy/CuBr2C6H7N2hy.corewf Image PC Routine Line Source hf 0000000 Unknown Unknown Unknown … Please let me know, how to solve this problem? Regards, Rahnama
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