From 6306d4f49cfd4ab1fb4712974005d1cd9b17175b Mon Sep 17 00:00:00 2001 From: Amber Lim Date: Tue, 23 Apr 2024 16:42:24 -0500 Subject: [PATCH] Fix reading alphabeta in `get_fermi` for VASP 6 --- src/software/vasp.jl | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/software/vasp.jl b/src/software/vasp.jl index 1123dc61..fb3fcfdc 100644 --- a/src/software/vasp.jl +++ b/src/software/vasp.jl @@ -407,7 +407,7 @@ function get_fermi(io::IO) readuntil(io, "E-fermi :") ln = split(readline(io)) fermi = parse.(Float64, ln[1]) .* EV2HARTREE - alphabeta = parse.(Float64, strip(ln[5],':')) .* EV2HARTREE + alphabeta = parse.(Float64, strip(ln[end],':')) .* EV2HARTREE return (fermi = fermi, alphabeta = alphabeta) end