[Pw_forum] RE: about projwfc.x

[Ruslan Minibaev]

Dear, all

 >>* I'm using version 3.0
*
>in parallel ? then maybe you forgot to save wavefunctions into a single
>directory (wf_collect=.true.)

>Paolo

I put "wf_collect" in my input file and i get pdos.out:
** **

     Program POST-PROC v.3.0    starts ...
     Today is 19Oct2006 at 13:20: 1

     Parallel version (MPI)

     Number of processors in use:      27
     R & G space division:  proc/pool =   27

     Reading file pwscf.save ...      only dimensions
     read complete

     Reading file pwscf.save ...      all except wavefuctions
     read complete

     Planes per process (thick) : nr3 =192 npp =   8 ncplane = 6400

     Planes per process (smooth): nr3s=144 npps=   6 ncplanes= 3600

 Proc/  planes cols    G   planes cols    G    columns  G
 Pool       (dense grid)      (smooth grid)   (wavefct grid)
  1      8    162  19872    6     95   8923   26   1290
  2      8    162  19872    6     95   8943   25   1281
  3      8    162  19872    6     95   8939   25   1281
  4      7    162  19872    6     95   8929   25   1281
  5      7    162  19872    6     95   8923   25   1281
  6      7    162  19872    6     95   8923   26   1288
  7      7    162  19872    6     95   8917   26   1288
  8      7    162  19872    6     94   8906   26   1288
  9      7    162  19872    6     94   8906   26   1288
 10      7    162  19872    5     94   8914   26   1288
 11      7    162  19872    5     94   8918   26   1288
 12      7    161  19863    5     95   8935   26   1288
 13      7    162  19872    5     95   8939   25   1281
 14      7    162  19872    5     95   8939   26   1290
 15      7    162  19872    5     95   8939   26   1290
 16      7    162  19872    5     95   8937   26   1290
 17      7    162  19872    5     95   8939   26   1290
 18      7    162  19872    5     95   8939   26   1286
 19      7    162  19870    5     95   8937   26   1286
 20      7    162  19870    5     95   8933   26   1286
 21      7    162  19870    5     95   8929   26   1286
 22      7    162  19870    5     95   8937   26   1286
 23      7    162  19870    5     95   8935   26   1286
 24      7    162  19870    5     95   8931   26   1288
 25      7    162  19870    5     95   8931   26   1288
 26      7    162  19870    5     95   8923   26   1288
 27      7    162  19870    5     95   8921   26   1288
  0    192   4373 536517  144   2561 241085  697  34739


     nbndx  =   386  nbnd   =   386  natomwfc =   440  npwx   =    1159
     nelec  = 644.00  nkb   =   688  ngl    =    9374

     Check: negative/imaginary core charge=   -0.000015    0.000000

     Gaussian broadening (read from input): ngauss,degauss=   1    0.020000


     Calling projwave ....
 ** ON ENTRY TO ZHPEV  PARAMETER NUMBER  1 HAD AN ILLEGAL VALUE

**

**

How to solve this problem?

Best regards,

Ruslan Minibaev
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