[QE-users] Supercell relaxation

[VISHVA JEET ANAND]

Dear Users
I try to run Fe (bcc) structure 2x2x2 supercell for relaxation
calculation but scf does not converge in 1000 iterations. Secondally how
many no. of atoms in Fe (bcc) structure. Here I attached my input file.

-- 
With Regards
Vishva Jeet Anand
Research Scholar
Department of Chemistry
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