[QE-users] Error when running ph.x

[LEUNG Clarence]

Dear QE users,


There is a error when running Ph.x


     Representation   190      1 modes -A  Not done in this run

     Representation   191      1 modes -A  Not done in this run

     Representation   192      1 modes -A  Not done in this run

     Representation   193      1 modes -A  To be done

     Representation   194      1 modes -A  To be done

     Representation   195      1 modes -A  To be done

     Representation   196      1 modes -A  To be done

     Representation   197      1 modes -A  To be done

     Representation   198      1 modes -A  To be done

     Compute atoms:    65,   66,



     Alpha used in Ewald sum =   2.8000

     negative rho (up, down):  2.128E-04 2.588E-04
     PHONON       :     1d   10h24m CPU        1d   12h20m WALL



     Representation #193 mode # 193

     Self-consistent Calculation

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine diropn (23):
     error opening /home/qeuser/Clarence/phosphorene/fe/fe-n2-v/_ph0/fe-n2-v.fe-n2-v.drho1

can not find the drho1 document.

And the input file is

&INPUTPH
  outdir='/home/qeuser/Clarence/phosphorene/fe/fe-n2-v',
  prefix='fe-n2-v',
  tr2_ph = 1d-12,
  ldisp = .true. ,
  fildyn = '/home/qeuser/Clarence/phosphorene/fe/fe-n2-v/fe-n2-v.dyn' ,
  fildrho = 'fe-n2-v.drho' ,
  epsil=.false.,
  trans=.true.,
  nq1 = 1 ,
  nq2 = 1 ,
  nq3 = 1 ,
  nat_todo = 2 ,
  alpha_mix(1) = 0.07,
/
65 66

Best regards,
Clarence
City University of Hong Kong

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