报错：WARNING: small aliasing (wrap around) errors must be expected

Hillary

计算新新新新人求助帖：
对沸石的初始结构进行扩胞后（2×3×1），将其中一个Al原子换成过渡金属进行结构优化，出现以下报错：LDA part: xc-table for Pade appr. of Perdew
POSCAR, INCAR and KPOINTS ok, starting setup
WARNING: small aliasing (wrap around) errors must be expected
FFT: planning ...
WAVECAR not read
WARNING: random wavefunctions but no delay for mixing, default for NELMDL
entering main loop

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vasp_std           000000000135AD04  Unknown               Unknown  Unknown
libpthread-2.17.s  00002B2E17A0E5D0  Unknown               Unknown  Unknown
vasp_std           000000000060298D  Unknown               Unknown  Unknown
vasp_std           0000000000C64E58  Unknown               Unknown  Unknown
vasp_std           0000000000C87741  Unknown               Unknown  Unknown
vasp_std           00000000011CFE1A  Unknown               Unknown  Unknown
vasp_std           0000000000409A5E  Unknown               Unknown  Unknown
libc-2.17.so       00002B2E17F3F3D5  __libc_start_main     Unknown  Unknown
vasp_std           0000000000409969  Unknown               Unknown  Unknown
end time is Fri Jul 7 03:00:27 CST 2023
/opt/gridview//pbs/dispatcher/mom_priv/jobs/5929.a620.SC: line 25: syntax error near unexpected token `done'
/opt/gridview//pbs/dispatcher/mom_priv/jobs/5929.a620.SC: line 25: `done'

我的INCAR数据如下所示：
Electronic minimisation
   GGA    = PE          ! density functional
   PREC   = Accurate      ! precision tag
   EDIFF  = 1E-7        ! criterion to end SCF loop
   ENCUT  = 400.0       ! energy cutoff
   NELMIN = 5           ! minimum number of SCF-iterations
   NSW =  500              ! Number of ionic steps
   NELM = 200            ! Number of electronic iterations
   EDIFFG =  -0.02      ! Global break cond. for the elec. Ionic-loop
   ISIF = 0

DOS related values
   ISMEAR = 0           ! Gaussian smearing for big cells

Single point energy calculation
   IBRION = 2           ! calculate frequencies
   NFREE  = 2           ! use central diffencies
   ISYM   = 0           ! symmetry switched off
   LVDW   = .TRUE.

Do not write huge files - restart options
   LCHARG = .TRUE.     ! do not write charges
   LWAVE  = .TRUE.     ! do not write wavefunction
   ISTART = 1           ! do not read previous SCF guess

   INSPIN = 2
   MAGMOM = 864*0 426*0 5*0 1*8 6*0

   LDAU   = .T.
   LDAUTYPE  = 2
   LDAUL  = -1 -1 -1 2 -1
   LDAUU  = 0.0 0.0 0.0 2.5 0.0
   LDAUJ  = 0.0 0.0 0.0 0.0 0.0