Hi Friends,I am trying to optimize a supercell using vc-relax using ibrav =
14, unit cell volume keeps on shrinking and finally ends up with an error
"Not enough space allocated for radial FFT: try restarting with a larger
cell_factor". Using cell factor = 8 and ecutrho = 10 X ecutwfc helped a
bit in reducing the rate at which volume of cell decreases / SCF cycle, but not
solved the problem completely. Can these variables be increased further ?Would
be thankful for any suggestion on it.ThanksAmarMGRU, Chennai
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