A (soon to be) collection of quick and dirty 'plot-to-terminal' scripts.
git clone [email protected]:badw/asciimatplots.git
pip3 install --user .
pymatgen
,numpy
,colorama
,termplotlib
Description: plots the values of
Fmax
andEtot
for each ionic step
Requirements:
OUTCAR
can be used at anystage of the relaxation
Description: plots both the energy barrier and the image force for each image
Requirements: a converged NEB run