[Pw_forum] error in rdiaghg

[Sergei Lisenkov]

Dear PWscf users,

I got the error after 68 steps. How to solve it?

.....
Entering Dynamics;  it =    68   time =  0.00324 pico-seconds

  new lattice vectors (alat unit) :
   1.000195559  -0.000001730   0.000000653
  -0.000001730   1.000165067   0.000000632
   0.000000653   0.000000632   1.000186077
  new unit-cell volume =   9266.0639 (a.u.)^3
  new positions in cryst coord
C       -0.071238291   0.306426380  -0.376621113
C        0.033239385   0.271946752  -0.439817355
... 
Ekin =     0.77391739 Ryd   T =  325.1 K  Etot =  -750.51524601

     NEW-OLD atomic charge density approx. for the potential
  NEW K-POINTS
   0.0000000   0.0000000   0.0000000   2.0000000

     total cpu time spent up to now is   8115.42 secs

     iteration #  1     ecut=    35.00 ryd     beta=0.10
     Davidson diagonalization with overlap
     ethr =  9.43E-06,  avg # of iterations = 14.0

     total energy              =  -751.19329655 ryd
     estimated scf accuracy    <     0.14888871 ryd

     total cpu time spent up to now is   8137.06 secs

     iteration #  2     ecut=    35.00 ryd     beta=0.10
     Davidson diagonalization with overlap
     ethr =  5.64E-05,  avg # of iterations =  4.0

     total energy              =  -751.24683236 ryd
     estimated scf accuracy    <     0.06564089 ryd

     total cpu time spent up to now is   8152.35 secs

     iteration #  3     ecut=    35.00 ryd     beta=0.10
     Davidson diagonalization with overlap
     ethr =  2.49E-05,  avg # of iterations =  6.0

     total energy              =  -751.28577433 ryd
     estimated scf accuracy    <     0.01460215 ryd

     total cpu time spent up to now is   8178.24 secs

     iteration #  4     ecut=    35.00 ryd     beta=0.10
     Davidson diagonalization with overlap

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from rdiaghg : error #       716
     info =/= 0
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     stopping ...

Thanks for any help,
Best wishes,
Sergey