[QE-users] Require help with SCF convergence

sayan chaudhuri csayan895 at gmail.com
Mon Apr 23 13:37:38 CEST 2018

Dear QE experts,

I am trying to run the SCF code for Fe2CrSn. But it is not coverging even
after 1000 iterations.

I have tried the same with different *celldm* value. For a higher celldm it
is converging.

I have tried changing the mixing beta, but it did not help.

I am attaching my input file below. Please somebody tell me what are the
mistakes I am doing.

Thanking you in advance,

  Sayan Chaudhuri
  Research Scholar
  IIT Indore
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