LOCALIZATION method??

[lml... at gmail.com]

As for LOCALIZATION part, there are four kinds of methods: JACOBI|
CRAZY|DIRECT|L1SD. I tested for several system, L1SD converges very
fast for any system, but gives the wrong results. Do I make any
mistake for this method, or is there some bug for L1SD method?

Thanks in advance!

Limin
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Results for H2O Dimer:
Crazy: MOLECULAR_DIPOLES
                           # molecule nr, charge, dipole vector,
dipole (Debye)
     1    0.000000   -1.278306    0.048275   -1.840541    2.241425
     2    0.000000   -1.125128   -0.183263    1.829523    2.155610

L1SD: MOLECULAR_DIPOLES
                           # molecule nr, charge, dipole vector,
dipole (Debye)
     1    0.000000   -6.676929   -0.192657   -0.914185    6.741975
     2    0.000000    4.422305    0.081061    0.928242    4.519401

My input file:

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    &PRINT
      &MOLECULAR_STATES
      &END MOLECULAR_STATES
      &LOCALIZATION
        LOC_TYPE L1SD  #CRAZY
       EPS_LOCALIZATION 1.0E-8
      &END LOCALIZATION
    &END PRINT
    &MGRID
      CUTOFF 280
    &END MGRID
    &QS
      EXTRAPOLATION USE_GUESS
#      EXTRAPOLATION_ORDER 2
    &END QS
    &SCF
      SCF_GUESS ATOMIC
    &END SCF
    &XC
      &XC_FUNCTIONAL BLYP
      &END XC_FUNCTIONAL
      &XC_GRID
        XC_DERIV SPLINE2
        XC_SMOOTH_RHO NONE
      &END XC_GRID
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 15 15 15
      UNIT ANGSTROM
    &END CELL
    &COORD
  O        -1.3459376534       -0.0354156443        0.1465219667
  H        -1.6005239833        0.7471984224       -0.3684408375
  H        -1.6119945737       -0.7853664624       -0.4092127268
  O         1.5271489754        0.0518925950       -0.1437561542
 H         0.5752834905        0.0079790198        0.0847062186
  H         1.9800438583        0.0028822544        0.7108287421

&END COORD
    &KIND O
      BASIS_SET TZV2P-GTH-q6
      POTENTIAL GTH-BLYP-q6
    &END KIND
    &KIND H
      BASIS_SET TZV2P-GTH-q1
      POTENTIAL GTH-BLYP-q1
    &END KIND
    &TOPOLOGY
       CONN_FILE 2h2o.psf
       CONNECTIVITY UPSF
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  FFTLIB FFTSG
  PROJECT water_dipole
  PRINT_LEVEL LOW