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[求助]
material studio 算不出來,出現(xiàn)以下代碼,是怎么回事? 已有1人參與
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This version was compiled for x86_64-windows-msvc2008 on Nov 12 2013 Code version: 6201 License checkout of MS_castep successful Info: number of up-spin electrons is equal to the number of down-spins and spin_polarized=true - consider setting spin_polarized=false. Error in parameters file: cannot have fractional number of electrons and FIX_OCCUPANCY=TRUE application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 |
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