Here are some of the parts of the input file:
&system
ibrav = 0,
nat= 9,
ntyp= 2,
ecutwfc = 36.7,
ecutrho = 367,
smearing = 'methfessel-paxton',
occupations = 'smearing',
degauss = 0.01
/
&electrons
conv_thr = 1e-6
electron_maxstep = 500
mixing_beta = 0.40
mixing_mode = 'local-TF'
diagonalization = 'cg'
Ijaz Durrani
Dear Dr Aguilar:
Kindly take at the following useful links:
Article Adventures in DFT by a wavefunction theorist
https://www.researchgate.net/post/Why_is_vc-relax_not_giving_any_change_in_of_lattice_parameter_or_atomic_positions_of_SrTiO3
https://www.researchgate.net/post/Why_isnt_my_quantum_espresso_computation_converging
Regards--
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