VASP stops when computing dielectric tensor with hybrid fu

[jcconesa]

Hi,
I'm trying a calculation of the dielectric tensor with hybrid functional. I find that after the two first scf cycles the program stops. stdout ends with many repeated instances of these three lines:

PEAD_POLARIZATION_CALC: WARNING: reciprocal direction 3 spin channel 1
contribution from string nn not well clustered around <|S|>_av = ( 0.43626 0.03294 )
Im(ln[|S|/<|S|>_av])/2pi = yyy > 1/4

where nn is an integer (in my case up to 64) and yyy is very close to 0.5 or -0.5; these lines are followed by another two lines:

p_tot=( 0.232E+01 -0.862E+00 0.210E+01 )
48 total processes killed (some possibly by mpirun during cleanup)

The last lines in OUTCAR are:

------------------------ aborting loop because EDIFF is reached ----------------------------------------
CALCP: cpu time 103.17: real time 103.20
Ionic dipole moment: p[ion]=( 17.95341 30.31005 0.10297 ) electrons Angst
Spin resolved dipole moment: p[sp1]=( -0.63679 0.48079 -0.28541 ) electrons Angst
p[sp2]=( 2.95906 -1.34307 2.38727 ) electrons Angst
Total electronic dipole moment: p[elc]=( 2.32227 -0.86228 2.10186 ) electrons Angst
FORLOC: cpu time 0.03: real time 0.03

The INCAR file is:

SYSTEM = opt
NCORE = 1
KPAR=16
ALGO = Damped ; TIME = 0.5
ISMEAR = -5
PREC = Normal
LREAL=False
ENCUT=550
LASPH = .TRUE. ; ADDGRID = .TRUE. ; LMAXMIX = 4
ISPIN = 2
EDIFF=3E-05
ICHARG=1
LHFCALC = .TRUE.; AEXX = 0.24
PRECFOCK = Fast
NKRED=4
LCALCEPS=.TRUE. ; EFIELD PEAD = 0.002 0.002 0.002
IBRION = -1
NSW = 0
LWAVE=.FALSE

I'm using 6 nodes of an AMD machine (8 cores/node) connected with infiniband; program was compiled with ifort 11 and mkl libraries. PAW potentials are being used.
Any help on how to solve the problem?
Thanks in advance,
José C. Conesa

[support_vasp]

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP