Hello…
i downloaded the lastest version of atat…
i’mtrying to calculate elastic constants with calcelas
i use vasp for the calculations
and i used to transform between atat and vasp using str2ezvaps…
but in the latest version this script is not included
is there another way to do the transformation?
or could someone send me a version of this script?
Thank you
Erik GV
The code in that script has now been incorporated in the
runstruct_vaspscript.
If you just want conversion without running vasp, use
runstruct_vasp -nrMy post was made like 6 years ago…
and approved 2 hours ago …
probably the moderator fell asleep for a while haha
Probably won’t be very useful now but i’m thankful for the reply…
made me smile and remember the PhD times…
Thank you Axel