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Hi, I get a problem when I calculate a system including Lanthnide with PAW-gga potantials using a supercell with 24 atoms,the job failed,and there is a erro in job.sh.o* file, it is like this :
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3 F= -.17834534E+03 E0= -.17837361E+03 d E =-.438535E+00 mag= 0.0000
curvature: -0.41 expect dE=-0.102E+00 dE for cont linesearch -0.211E-03
trial: gam= 0.20797 g(F)= 0.156E+00 g(S)= 0.918E-01 ort = 0.234E-01 (trialstep = 0.965E+00)
search vector abs. value= 0.304E+00
bond charge predicted
N E dE d eps ncg rms rms(c)
DAV: 1 -0.177151336089E+03 -0.17715E+03 -0.45509E+01 76544 0.536E+01 0.353E+00
DAV: 2 -0.184084842951E+03 -0.69335E+01 -0.39853E+01123592 0.267E+01 0.160E+01
DAV: 3 -0.204290146194E+03 -0.20205E+02 -0.88469E+01112472 0.457E+01 0.447E+01
DAV: 4 -0.610396798466E+03 -0.40611E+03 -0.78805E+02120688 0.918E+01 0.113E+02
DAV: 5 -0.197575592731E+03 0.41282E+03 -0.43954E+02119528 0.793E+01 0.566E+01
DAV: 6 -0.215004486363E+03 -0.17429E+02 -0.15377E+02128280 0.294E+01 0.663E+01
DAV: 7 -0.203627472189E+03 0.11377E+02 -0.28835E+01125944 0.144E+01 0.477E+01
DAV: 8 -0.187145346858E+03 0.16482E+02 -0.35952E+01120240 0.237E+01 0.226E+01
DAV: 9 -0.189436972185E+03 -0.22916E+01 -0.36710E+00124624 0.918E+00 0.263E+01
DAV: 10 -0.193273210766E+03 -0.38362E+01 -0.11566E+01120352 0.116E+01 0.331E+01
DAV: 11 -0.184160703321E+03 0.91125E+01 -0.23725E+01118016 0.211E+01 0.194E+01
DAV: 12 -0.184031434995E+03 0.12927E+00 -0.24364E+00129920 0.588E+00 0.186E+01
DAV: 13 -0.229554442793E+03 -0.45523E+02 -0.79129E+01119496 0.337E+01 0.644E+01
DAV: 14 -0.131150842588E+06 -0.13092E+06 -0.12541E+07113608 0.399E+05 0.220E+02
DAV: 15 -0.568883159916E+05 0.74263E+05 -0.25495E+05136496 0.211E+03 0.291E+02
ERROR FEXCF: supplied exchange-correlation table
is too small, maximal index : 5459
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but there is no error at all when the supercell including 16 atoms, can anybody help me explain it and fix it out ? thank you very much!
the INCAR file as follows:
General
SYSTEM = hcp 24.1 optimization
PREC = High
ISTART = 0
ICHARG = 0

Electronic minimization
#ENCUT = 400
#ENAUG = 613.6
ISPIN = 2
ISIF = 3
NELM = 50
NELMIN = 4
NELMDL = -12
EDIFF = 1E-4
MAXMIX = 80
LREAL = .FALSE.
ADDGRID = .TRUE.
#NBANDS = 32
LWAVE = .FALSE.
LCHARG = .FALSE.

Ionic relaxation
IALGO = 38
NSW = 40
IBRION = 2
POTIM = 0.5
#BMIX = 0.8
EDIFFG = 1E-3

DOS related parameters
ISMEAR = 1
SIGMA = 0.2

I am Also facing the same problem. dont know how to solve it .p lease help

this error usually indicates that the ionic configuration gives an unreaonable charge density, therefore my first guess is that your ionic relaxation is unphysical.
please have a look at your results of steps 1-3: does the total energy decrease? are the predicted geometries and interatomic distances reasonable? (If you insist on volume relaxation: does the external pressure converge?)
1) please consider whether it is reasonable to relax the cell volume and shape of a defective supercell (especially as it only contains 24 atoms!, i e the macroscopic defect concentration would be about 4%!)
2) EDIFF = 1e-4 is definitely not accurate enough if you want to optimize the structure based on the force tensors, this requires better electronic convergence (at least 1e-6)
3) POTIM may be too large, your first relaxation step might have lead to an unresonable 2nd cell configuration