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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