No subject

When (nrc<0) or (nrc>msh). I think there is something wrong with the paw
pseudopotential or some important parameters have been neglected in the input file
for g-tensor calculation. I have not found any clues about this error in the
forum. Any suggestions or examples for g-tensor calculation will be deeply
appreciated.

the details of the input files:
-----------------------------
scf input file
--------------------------
&control
    calculation = 'scf',
    prefix='zro2',
    restart_mode='from_scratch',
    pseudo_dir = '/usr/local/espresso-4.0/g-tensor/pseudo/',
    outdir='./',
    dt=80,
    verbosity=default,
    etot_conv_thr=1.0D-5,
    forc_conv_thr=1.0D-4,
    nstep=50,
 /
 &system
    ibrav=  0, celldm(1)=10.323, nat=  11, ntyp= 2,
    ecutwfc = 30.0, ecutrho = 300.0,
    occupations = "smearing",
    smearing    = "gaussian",
    degauss     = 0.02D0,

 /
 &electrons
    conv_thr    = 1.D-6,
    mixing_beta = 0.3D0,
/
CELL_PARAMETERS
1.00   0.000000000   0.000000000
0.000000000   1.00  0.000000
0.000000000  0.000000   1.00
ATOMIC_SPECIES
 Zr1   1.  Zr.gipaw.UPF 
 O1    1.  O.gipaw.UPF
ATOMIC_POSITIONS
Zr1      0.00000   0.00000   0.00000  

Zr1      0.00000   0.50000   0.50000  

Zr1      0.50000   0.00000   0.50000  

Zr1      0.50000   0.50000   0.00000   
O1      0.25000   0.25000   0.25000

O1        0.75000   0.75000   0.25000 

O1        0.75000   0.25000   0.75000

O1        0.25000   0.75000   0.75000  

O1        0.25000   0.25000   0.75000

O1        0.75000   0.75000   0.75000   

O1       0.75000   0.25000   0.25000     


K_POINTS {automatic}
2 2 2 0 0 0
------------------------------------------------------------------
gipaw input file:
&inputgipaw
 job = 'g_tensor'
 prefix = 'zro2'
 tmp_dir = './'
        isolve = 1
 iverbosity = 1
        q_gipaw = 0.01
----------------------------------------------------------
pseudopotentials:Zr.gipaw.UPF
----------------------------------------------------------
<<UPF version="2.0.0">
  <PP_INFO>
    Generated using "atomic" code by A. Dal Corso (espresso distribution)
    Author: anonymous
    Generation date: 31Jul2008
    Pseudopotential type: NC
    Element: Zr
    Functional: PBE

    Suggested minimum cutoff for wavefunctions:  65. Ry
    Suggested minimum cutoff for charge density: 259. Ry
    The Pseudo was generated with a Scalar-Relativistic Calculation
    L component and cutoff radius for Local Potential:  0   1.8000
    Pseudopotential contains additional information for GIPAW reconstruction.

    Valence configuration: 
    nl pn  l   occ       Rcut    Rcut US       E pseu
    4D  3  2  2.00      1.900      1.900    -0.287162
    5S  1  0  2.00      3.785      3.785    -0.329274
    Generation configuration:
    5P  2  1  0.00      2.400      2.400     0.700000
    4D  3  2  2.00      1.900      1.900    -0.264514
    4D  3  2  0.00      1.900      1.900    -0.300000
    5S  1  0  2.00      1.800      1.800    -0.326276

    Pseudization used: rrkj
  </PP_INFO>
  <!--                               -->
  <!-- END OF HUMAN READABLE SECTION -->
  <!--                               -->
  <PP_HEADER generated='Generated using "atomic" code by A. Dal Corso (espresso
distribution)'
             author="anonymous"
             date="31Jul2008"
             comment=""
             element="Zr"
             pseudo_type="NC"
             relativistic="scalar"
             is_ultrasoft="F"
             is_paw="F"
             is_coulomb="F"
             has_so="F"
             has_wfc="F"
             has_gipaw="T"
             core_correction="T"
             functional="PBE                 "
             z_valence="4.000000000000000E+000"
             total_psenergy="-9.321677046436291E+000"
             wfc_cutoff="6.478028549389076E+001"
             rho_cutoff="2.591211419755630E+002"
             l_max="2"
             l_max_rho="4"
             l_local="0"
             mesh_size="1225"
             number_of_wfc="2"
             number_of_proj="3"/>
  <PP_MESH dx="1.250000000000000E-002" mesh="1225" xmin="-7.000000000000000E+000"
rmax="1.000000000000000E+002"
zmesh="4.000000000000000E+001">
    <PP_R type="real" size="1225" columns="4">..........
-------------------------------------------------------------------------
O.gipaw.UPF
<PP_INFO>
Generated using "atomic" code by A. Dal Corso  (espresso distribution)     
Author: anonymous   Generation date: 11Jul2007                             
O                                                                          
    0        The Pseudo was generated with a Non-Relativistic Calculation
    1 1.4500000E+00    L component and cutoff radius for Local Potential
nl pn  l   occ               Rcut            Rcut US             E pseu
2S  1  0  2.00      1.45000000000      1.45000000000     -2.91141592981
2P  2  1  3.00      1.45000000000      1.45000000000     -1.79757641992
</PP_INFO>


<PP_HEADER>
   0                   Version Number
   O                   Element
   NC                  Norm - Conserving pseudopotential
    F                  Nonlinear Core Correction
 SLA  PW   PBX  PBC    PBE  Exchange-Correlation functional
    6.00000000000      Z valence
  -30.28545848631      Total energy
      0.000      0.000 Suggested cutoff for wfc and rho
    1                  Max angular momentum component
 1095                  Number of points in mesh
    2    1             Number of Wavefunctions, Number of Projectors
 Wavefunctions         nl  l   occ
                       2S  0  2.00
                       2P  1  3.00
</PP_HEADER>


<PP_MESH>
  <PP_R>.............
--------------------------------------------------------------------------------

Best regards,
Yuan Wang
School of Chemical Eng. & Techn., Tianjin Univ.
E-mail: only1xiaoyuan at tju.edu.cn