UT theoretical chemistry code forum

Hello everyone, I am wondering if VASP, in an ab initio Molecular Dynamic (AIMD) calculation, generates at each step the AECCAR* files as well as CHGCAR files.. I am quite sure about the CHGCAR files but i am not able to find any informations concerning the AECCAR* set... Indeed, i know the CHG file...

Hi Graeme,

Thank you for the quick answer and for the clear explanation now i get the difference.
I'm going to try different softwares or maybe with a bunch of python scripting. If ill be able to find a solution i can post it here.

Silvio

Hello everyone, I'm performing some DFT calculation with vasp, regarding the bader analysis i didn't find any particular trouble and the code worked perfectly, thank you so much! What i would like to do now is to visualize the atomic volumes obtained with VESTA, after different trials i didn't manag...