出错信息如下：
running 32 mpi-ranks, with 1 threads/rank, on 1 nodes distrk: each k-point on 32 cores, 1 groups distr: one band on 1 cores, 32 groups vasp.6.4.1 05Apr23 (build Jul 31 2023 22:51:27) complex POSCAR found type information on POSCAR CeO CoCs POSCAR found : 4 types and 161 ions scaLAPACK will be used LDA part: xc-table for Pade appr. of Perdew POSCAR found type information on POSCAR CeO CoCs POSCAR found : 4 types and 161 ions POSCAR, INCAR and KPOINTS ok, starting setup FFT: planning ... GRIDC FFT: planning ... GRID_SOFT FFT: planning ... GRID WAVECAR not read WARNING: chargedensity file is incomplete WARNING: random wavefunctions but no delay for mixing, default for NELMDL prediction of wavefunctions initialized - no I/O entering main loop N E dE d eps ncg rms rms(c)DAV: 1 0.200017370882E+05 0.20002E+05 -0.43363E+05 3200 0.126E+03DAV: 2 0.704488930024E+04 -0.12957E+05 -0.11849E+05 3936 0.354E+02DAV: 3 -0.102964015994E+02 -0.70552E+04 -0.69140E+04 4544 0.256E+02DAV: 4 -0.150305065183E+04 -0.14928E+04 -0.14700E+04 5056 0.135E+02DAV: 5 -0.161685429735E+04 -0.11380E+03 -0.11290E+03 5248 0.460E+01 0.179E+02 -----------------------------------------------------------------------------| || EEEEEEE RRRRRR RRRRRR OOOOOOO RRRRRR ### ### ### || E R R R R O O R R ### ### ### || E R R R R O O R R ### ### ### || EEEEE RRRRRR RRRRRR O O RRRRRR # # # || E R R R R O O R R || E R R R R O O R R ### ### ### || EEEEEEE R R R R OOOOOOO R R ### ### ### || || Error EDDDAV: Call to ZHEGV failed. Returncode = 31 1 32 || || ----> I REFUSE TO CONTINUE WITH THIS SICK JOB ... BYE!!! <---- || | -----------------------------------------------------------------------------