cippo1987/TibCadSillyScript
A simple bash + awk script to submit TiberCAD jobs
Delendo
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A simple bash + awk script to submit TiberCAD jobs
DFT optimised crystal structures of organometal hybrid halide perovskites, including CH3NH3PbI3 (MAPI).
Bash function to set NSW and ISIF (in principle any program)
It generate a POSCAR with a MA molecule inside a cubic perovskite-like cage