cippo1987/TibCadSillyScript
A simple bash + awk script to submit TiberCAD jobs
It generate a POSCAR with a MA molecule inside a cubic perovskite-like cage
This repository is cataloged as part of our automated global GitHub synchronization. Full telemetry, velocity snapshots, and code summaries are scheduled for continuous enrichment.
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)
Delendo