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大力2010

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[求助] vasp计算能带报错，出现BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES

vasp计算能带。先结构优化，再自洽（ISTART=0, SIGMA=0.01,ICORELEVEL=1,LVTOT=T,LVHAR=T），最后非自洽(ISTART=1,ICHARG=11)，PREC与静态一致，ENCUT不变。KPATH.in改为KPOINTS...计算能带时报错，INCAR 如最下方所示，出现这样的提示怎么办：
LDA part: xc-table for Pade appr. of Perdew
found WAVECAR, reading the header
  number of k-points has changed, file:    6 present: 180
  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 ...
reading WAVECAR
the WAVECAR file was read successfully

===================================================================================
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= PID 19114 RUNNING AT localhost.localdomain
= EXIT CODE: 9
= CLEANING UP REMAINING PROCESSES
= YOU CAN IGNORE THE BELOW CLEANUP MESSAGES

INCAR 内容：
Global Parameters
ISTART =  1          (Read existing wavefunction; if there)
# ISPIN =  2          (Spin polarised DFT)
ICHARG =  11       (Non-self-consistent: GGA/LDA band structures)
LREAL  = .FALSE.    (Projection operators: automatic)
# ENCUT  =  400       (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)
LVTOT  = .TRUE.    (Write total electrostatic potential into LOCPOT or not)
LVHAR  = .TRUE.    (Write ionic + Hartree electrostatic potential into LOCPOT or not)
# NELECT =          (No. of electrons: charged cells; be careful)
# LPLANE = .TRUE.    (Real space distribution; supercells)
# NPAR = 4          (Max is no. nodes; don't set for hybrids)
# NWRITE = 2          (Medium-level output)
# KPAR = 2          (Divides k-grid into separate groups)
NGX = 500       (FFT grid mesh density for nice charge/potential plots)
NGY = 500       (FFT grid mesh density for nice charge/potential plots)
NGZ = 500       (FFT grid mesh density for nice charge/potential plots)
ICORELEVEL=1
NBANDS=368

Static Calculation
ISMEAR =  0          (gaussian smearing method)
SIGMA  =  0.01       (please check the width of the smearing)
LORBIT =  11          (PAW radii for projected DOS)
NEDOS  =  2001       (DOSCAR points)
NELM =  60          (Max electronic SCF steps)
EDIFF  =  1E-08       (SCF energy convergence; in eV)

===================================================================================
Intel(R) MPI Library troubleshooting guide:
   https://software.intel.com/node/561764

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