cippo1987/TibCadSillyScript
A simple bash + awk script to submit TiberCAD jobs
Bash function to set NSW and ISIF (in principle any program)
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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).
It generate a POSCAR with a MA molecule inside a cubic perovskite-like cage
Delendo