Hey guys JohnHDchem here,
I am a (young?) theoretical chemist and I created this blog because I hope to offer come useful tips for follow novice simulations people who have a headache with the settings, option selections and stuff.
I certainly do not claim to be an expert in any way so the content in this blog are mainly my experiences and stuff which I have learnt from tutorials. If there is any discrepancy with the information, leave a comment and we can all have a discussion.
I intend to post some examples along the way and talk about how they are done. Screenshots and pictures are likely to be included, and maybe videos with commentary in the future.
I mainly work on the vienna ab initio simulations package (VASP), dmol and CASTEP, so information would center around these software packages.
Hoping to post some content soon.
Let's get this blog started