Electronic entropy calculations

Alloy Theoretic Automated Toolkit (ATAT)
1

Hallo,

ATAT is able to calculate the electronic free energy using felec command. Is there a way to calculate only the electronic entropy (S-electronic) in ATAT?

Regards
Anus Manzoor

2

No, but first-differencing F gives -S . e.g

cat felec | awk 'BEGIN {getline; last=$1; print 0} {print ($1-last)/100; last=$1;}'

(assuming the default spacing of 100K)