[QE-users] NON CONVERGENCE OF PHONON CALCULATION DUE TO LIMITED NUMBER OF ITERATIONSR

Shubham Tyagi shubhamtyagi145 at gmail.com
Thu Oct 4 14:34:57 CEST 2018


Respected Sir/Ma'am
I was doing phonon calculation for a supercell and I encountered with a
problem that the calculations did not converge as the maximum iteration was
till 100 only.
I tried changing the maxter from 100 to 300 but all in vain. This all was
for phonon calculation. So can you provide me with some way to increase the
number of iterations for phonon calculation?
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