To monitor parameters one can
use the following linux command:
1) grep :ENE
case.scf
Or the follwoing
WIEN2k scripts:
2) analyse_lapw case.scf :ENE :DIS
and then enter
cat
analyse.out
to observe the results
3) grepline_lapw :ENE 'case.scf' 10
or
grepline :ENE 'case.scf' 1 > output
grepline :VOL 'case.scf' 1 >> output
grepline :DIS 'case.scf' 1 >> output
4)
scfmonitor_lapw :ENE :DIS
or
scfmonitor -i 10 -p :ENE :DIS
-i
10 shows only the last 10 iterations
-p
generates scfmonitor.png file
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