[Wien] WARNING: R0 for atom 1 Z= 92.00 too big Error

[Ghosh SUDDHASATTWA]

Dear Users, 

I have not been able to trace the solution to our problem 

>   lstart      (16:34:35)   SELECT XCPOT:

  recommended: 13: PBE-GGA (Perdew-Burke-Ernzerhof 96)

                5: LSDA

               11: WC-GGA (Wu-Cohen 2006)

               19: PBEsol-GGA (Perdew etal. 2008)

13

  SELECT ENERGY to separate core and valence states:

  recommended: -6.0 Ry (check how much core charge leaks out of MT-sphere)

  ALTERNATIVELY: specify charge localization

  (between 0.97 and 1.0) to select core state

-6.0

 

WARNING: R0 for atom    1 Z= 92.00 too big

 

 

WARNING: R0 for atom   -2 Z= 40.00 too big

 

LSTART ENDS

0.280u 0.060s 0:03.53 9.6%      0+0k 0+0io 0pf+0w

WARNING: R0 for atom    1 Z= 92.00 too big

WARNING: R0 for atom   -2 Z= 40.00 too big

 

How can we remove the warning above 

My options file says 

 

 

current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback

current:FPOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback
-O1

current:LDFLAGS:$(FOPT) -L$(MKLROOT)/lib/intel64 -pthread

current:DPARALLEL:'-DParallel'

current:R_LIBS:-lmkl_scalapack_lp64 -Wl,--start-group -lmkl_intel_lp64
-lmkl_int

el_thread -lmkl_core -lmkl_blacs_intelmpi_lp64 -Wl,--end-group -openmp
-lpthread

current:RP_LIBS:-L$(MKLROOT)/lib/intel64 -lmkl_scalapack_lp64
-Wl,--start-group

-lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -lmkl_blacs_intelmpi_lp64
-Wl,--e

nd-group -openmp -lpthread -L/opt/englibs/fftw-2.1.5/lib -lfftw_mpi -lfftw
$(R_L

IBS)

current:MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_

 

 

Can anybody suggest on this issue 

 

Thanks 

Suddhasattwa 

 

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