Jarv's VASP Snippets

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Jarvist Moore Frost edited this page Dec 7, 2015 · 1 revision

Graph ionic convergence from VASP
grep "free energy" OUTCAR | awk '{print $5}' | feedgnuplot --terminal 'dumb 120,40' --exit
Graph electronic convergence from VASP (diff number of spaces...)
grep "free energy" OUTCAR | awk '{print $5}' | feedgnuplot --terminal 'dumb 120,40' --exit
Check POTCAR order with POSCAR (human verification)
grep TITEL POTCAR && head -n 8 POSCAR