[Wien] how to extact...Parabolfit needs small change

[Lyudmila]

18.11.2017 15:21, Lyudmila wrote:
> Better try and find the place in parabolfit that determines which part 
> of the output should be rewritten in the ZrO2.ene and ZrO2.latparam. I 
> think that this line should be changed somehow:
>   grepline :lat '*mon*.scf' 1 -s| cut -c27->$file.latparam
I have looked through this: the file latparam contains all 3 angles, and 
eosfit6 in a 4-d case takes only one angle (the first one, maybe, that 
is, the forth column).
So two variants:
1) to move the column of changing angles to a proper place.
That is, you are doing parabolfit, than change columns in the file 
latparam, and do 'x eosfit6'
2) you are doing parabolfit, than do 'x eosfit6' and answer that you 
have 6 dimensions - and it will consider 6 columns, in the output you'll 
see much more variables.

By the way, my new version of parabolfit has a misfit: version 3 (abc 
change) looks like
       grepline :ene "*abc*$scf" 1 -s| cut -c40- >$file.ene
       grepline :lat "*abc*$scf" 1 -s| cut -c27->$file.latparam
And program does not have $scf here. I think it should be changed to:
       grepline :ene "*abc*scf" 1 -s| cut -c40- >$file.ene
       grepline :lat "*abc*scf" 1 -s| cut -c27->$file.latparam

Best wishes,
Lyudmila Dobysheva