[QE-users] Issue for convergence in ibrav = 6
Narayanan Namboodiri P
narayanan.n at srmap.edu.in
Sat Mar 14 09:38:12 CET 2026
Dear users,
I am using QE to run my calculation. I ran the calculation
initially with ibrav = 0 and system converged properly. But for the same
value, if I used ibrav = 6, as my system is tetragonal the calculation is
not converging. Can any body suggets what may be the reason for this.
/
&SYSTEM
ibrav= 6,
celldm(1) = 7.3510633312,
celldm(3) = 2.4481070291,
Thanking you in advance
with regards
Narayanan.
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