[Pw_forum] ??? marks in ELF analysis

[Mousumi Upadhyay Kahaly]

Dear All,

      I want to do elf analysis for Cd-di-acetate system. For that, I am
using ULTRASOFT PSEUDOPOTENTIALS for all the atoms. After
relaxation, I did the scf pw.x run(it is done correctly, I am sure)
and then with files in the tmp/ directory, I have done pp.x run. The
output elf file looks to be incomplete with lots of question marks
like

"4.615327952E-12?????????????????  1.189272540E-09 
2.367439860E-10?????????????????
?????????????????  4.568158721E-08?????????????????  1.745761642E-12 
4.550483202E-08
????????????????? "

       What is the mistake I hav made? What should I do now to get correct
ELF analysis of my system?

                              Best regards,   mousumi.

Input file for my pp.x run,

================================================================
 &inputpp
    prefix  = 'Cd_di_acetate'
    outdir =  '/export/mousumi/PWSCF_2.0.1/Cd_2CH3COO/ELF/tmp//'
    filplot = 'Cd_2CH3COOelf'
    plot_num= 8
 /
=================================================================


      Then the output file after pp.x execution writes


==========================================================================
     Program POST-PROC v.2.0.1  starts ...
     Today is 11Jul2005 at 22: 2:36

     nbndx  =    44  nbnd   =    37  natomwfc =    44  npwx   =   23683
     nelec  =   58.00 nkb   =    88  ngl    =   11161

     Calling punch_plot, plot_num =   8

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from do_elf : error #        -1
     elf + US not fully implemented
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     Writing data on file  Cd_2CH3COOelf
==========================================================================


   And the file  Cd_2CH3COOelf writes-
==========================================================================
     200      60      60     200      60      60      15       4
     8 50.00000000  0.30000000  0.30000000  0.00000000  0.00000000 
0.00000000
     9498.8609664692        6.0000000000       25.0000000000     8
   1   C     4.00
   2   H     1.00
   3   O     6.00
   4   Cd   12.00
   1      -0.082463418   -0.010889725   -0.018561191    3
   2      -0.074898581   -0.017885652    0.065519357    3
   3      -0.102378413   -0.016333137    0.025443499    1
   4      -0.159067520   -0.020123028    0.030276227    1
   5      -0.169237202   -0.042777034    0.063521107    2
   6      -0.174509697    0.018232762    0.035611759    2
   7      -0.175604491   -0.036018176   -0.004303162    2
   8      -0.005204872   -0.008307511    0.017425116    4
   9       0.092022107   -0.001191275    0.009297931    1
  10       0.065358644    0.039253646    0.013394188    3
  11       0.071264196   -0.045139461    0.009064170    3
  12       0.148772494    0.002887309    0.005618279    1
  13       0.159816129    0.039913367   -0.009472608    2
  14       0.164797233   -0.000978230    0.043907778    2
  15       0.163980748   -0.027908380   -0.017686596    2
  3.323774911E-01  1.452789067E-01  9.538560487E-02  9.032122583E-02 
9.775089880E-02
  1.142089558E-01  1.595044445E-01  2.505376772E-01  3.865973450E-01 
4.855420241E-01
  5.345963002E-01  4.520594869E-01  2.646483550E-01  1.364132552E-01 
1.780586327E-01
  4.554727587E-01  7.760721604E-01  9.086906599E-01  9.442795876E-01 
9.476321327E-01
  9.096693830E-01  8.105565828E-01  5.942526205E-01  3.099656660E-01 
1.505911825E-01
  1.352057934E-01  2.384930089E-01  4.194133884E-01  5.641333943E-01 
5.882099675E-01
  5.669442522E-01  5.364892012E-01  4.110423394E-01  3.425590596E-01 
2.371541964E-01
  1.756398958E-01  9.689860769E-02  9.900749195E-02  2.517728549E-02 
2.770832418E-02
  2.929513975E-02  8.470112825E-03  7.982682914E-04  3.597589793E-04 
4.392355790E-05
  7.191333644E-05  5.934434930E-06  6.190322287E-04  2.592244117E-07 
1.704007690E-08
  4.615327952E-12?????????????????????????????????? 
4.568158721E-08?????????????????  1.745761642E-12  4.550483202E-08
?????????????????  3.804524614E-10  1.418421202E-08????????????????? 
3.239593949E-09
  6.195890609E-08?????????????????????????????????? 
1.129576610E-07?????????????????
  5.830903906E-10 
3.768694819E-11???????????????????????????????????????????????????
  3.665181926E-10  2.975430105E-12?????????????????  2.465696404E-12 
1.090467859E-09  1.189272540E-09  2.367439860E-10?????????????????

and so on....
===========================================================================