Liam Nagle-Cocco

icon indicating a website link lnaglecocco.github.io

icon company University of Cambridge icon location Cambridge, United Kingdom icon location Postdoc in condensed matter physics

Results 2 comments of Liam Nagle-Cocco

Structure.from_file() fails if frac_tolerance argument supplied and file is POSCAR

Note this is a duplicate of #2924

Structure.from_file() fails if frac_tolerance argument supplied and file is POSCAR

@shyuep Fair point, and thanks for getting back to me. I have a script which I run on both CIF outputs from RMCprofile and the POSCAR outputs of MD simulations...