static polarizability alpha calculation ( poperty response 1 ) after CDFT module (constraint charge distribution)

[Yanrong Jiang]

 Dear all, I am a fresh man to the NWChem. I try to calculate the static polarizability using NWChem. I allocate the charge distribution before the polarizability calculation. While it does not terminate normally. Is it not supported in NWChem ？ 

The input is shown below.

****

start

geometry

C                  0.00000000    0.52007900    0.00000000

O                 -1.13032800   -0.06349600    0.00000000

O                  1.11739200   -0.09103900    0.00000000

C                  0.03308100    2.04494400    0.00000000

H                  0.58076900    2.39854700    0.88048700

H                  0.58076900    2.39854700   -0.88048700

H                 -0.97577100    2.46220700    0.00000000

Na                -0.02552400   -1.94665100    0.00000000

end

scratch_dir /tmp

basis

* library 6-31G*

end

dft

xc b3lyp

mulliken

convergence nolevelshifting

cdft 8 8 charge 1.0

end

property

response 1

dipole

end

TASK dft property

****

This is the output.

****

#quartets = 2.566D+05 #integrals = 3.955D+06 #direct =  0.0% #cached =100.0%

File balance: exchanges=    27  moved=    12  time=   0.0

 cphf_solve2:SCF residual greater than 1d-2                   0

 ------------------------------------------------------------------------

 ------------------------------------------------------------------------

  current input line :

     0:

 ------------------------------------------------------------------------

 ------------------------------------------------------------------------

 This error has not yet been assigned to a category

 ------------------------------------------------------------------------

 For further details see manual section: No section for this category

 cphf_solve2:SCF residual greater than 1d-2                   0

****

Thanks all.

[Edoardo Aprà]

The NWChem property module is not compatible with CDFT