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请教大神, 计算能带,刚开始计算就停止了,出现附图这样的提示(BADTERMINATION OF ONE OF YOUR APPLLICATION PROCESS ,pid 27418 running at node 1 ,EXIT CODE : 9 ),怎样解决? INCAR 为:
Global Parameters
ISTART = 1 (Read existing wavefunction; if there)
ISPIN = 1 (Non-Spin polarised DFT)
ICHARG = 11 (Non-self-consistent: GGA/LDA band structures)
LREAL = .FALSE. (Projection operators: automatic)
ENCUT = 420 (Cut-off energy for plane wave basis set, in eV)
PREC = Normal (Precision level)
LWAVE = .TRUE. (Write WAVECAR or not)
LCHARG = .TRUE. (Write CHGCAR or not)
ADDGRID= .TRUE. (Increase grid; helps GGA convergence)
LORBIT = 10
NEDOS = 1000
EMIN = -10
EMAX = 25
NBANDS = 504
Static Calculation
ISMEAR = 0 (gaussian smearing method)
SIGMA = 0.05 (please check the width of the smearing)
NELM = 60 (Max electronic SCF steps)
EDIFF = 1E-05 (SCF energy convergence; in eV)
LDAU =.TRUE.
LDATYPE= 2
LDAUL = -1 -1 -1 -1 2
LDAUU = 0 0 0 0 2
LDAUJ = 0 0 0 0 0
LMAXMIN= 4
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