[QE-users] Wrong niter_max error ! in running hp.x of QE-6.4.1

[Soumyadeep]

Dear QE users,

   I am calculating Hubbard parameters using hp.x executable in QE 
distribution and getting error "Convergence has not been reached after 
100 iterations!". After that I have changed the flag niter_max from 100 
(default) to 1000, which rises another error quoted below

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
      task #        22
      from hp_readin : error #         1
       Wrong niter_max
  
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

   Checking possible solutions I get,

  IF (niter_max.LT.1 .OR. niter_max.GT.maxter) &
      CALL errore ('hp_readin', ' Wrong niter_max ', 1)

   What is the value of "maxter" flag and how to change it? Is "maxter" 
has some connection with "electron_maxstep" of PWSCF? Is there any other 
way to solve this problem?


with many thanks and best regards
Soumyadeep
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Soumyadeep Ghosh,
Senior Research Fellow,
Homi Bhabha National Institute (HBNI),
Raja Ramanna Centre for Advanced Technology, Indore, India-452013
Mob: (+91)9424664553
User Lab: 0731244-2580
Email: soumyadeepghosh35 at gmail.com, soumyadeep at rrcat.gov.in
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