[QE-users] Reg. convergence of calculation using hp.x

[Soumyadeep]

Dear QE experts,

   I am getting an error when calculating Hubbard parameters for NaFeAs 
at 40 GPa (input file attached) using QE v 6.4.1.
   Calculation converges well for
   nq1 = 2, nq2 = 2, nq3 = 1 ; nq1 = 2, nq2 = 2, nq3 = 2

   but not for nq1 = 3, nq2 = 3, nq3 = 2 and so on after 500 iteration. I 
have tried by changing the parameter alpha_mix(1), but not succeeded. 
Kindly help, waiting eagerly for your reply.

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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