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LDA part: xc-table for Ceperly-Alder, Vosko type interpolation para-ferro POSCAR found : 3 types and 7 ions found WAVECAR, reading the header number of bands has changed, file: 92 present: 186 trying to continue reading WAVECAR, but it might fail number of k-points has changed, file: 202 present: 225 trying to continue reading WAVECAR, but it might fail WARNING: stress and forces are not correct POSCAR, INCAR and KPOINTS ok, starting setup FFT: planning ...( 1 ) reading WAVECAR ERROR: while reading WAVECAR, plane wave coefficients changed 5746 2873 ÕâÊdzö´íÐÅÏ¢£¬ÐüÉͽâ´ð£¬·Ç³£¸Ðл |
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