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langren24新蟲 (小有名氣)
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[求助]
VASP計算失敗求助!
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最近用VASP計算體系的dos,總是會出現(xiàn)計算失敗,查看VASP.out和OUTCAR.out里出現(xiàn)了下面的warning,請幫忙解讀一下! WARNING: small aliasing (wrap around) errors must be expected FFT: planning ...( 1 ) reading WAVECAR the WAVECAR file was read sucessfully WARNING: dimensions on CHGCAR file are different initial charge from wavefunction trying to continue reading WAVECAR, but it might fail WARNING: stress and forces are not correct POSCAR, INCAR and KPOINTS ok, starting setup WARNING: small aliasing (wrap around) errors must be expected WARNING: aliasing errors must be expected set NGX to 30 to avoid them WARNING: aliasing errors must be expected set NGY to 30 to avoid them NGZ is ok and might be reduce to 24 aliasing errors are usually negligible using standard VASP settings and one can safely disregard these warnings |
新蟲 (小有名氣)


新蟲 (小有名氣)
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