---
# System prepended metadata

title: Meeting 2021-06-23

---

# Meeting 2021-06-23

## Agenda
* updates on the last two weeks
* graphite potential / atomicrex
* hiphive
* presentation for MECHANIC


## Updates
* elastic constants
* looked into grappy
* Petter Mostad
* Florian
* effective FC for r-MoS2/Graphite (NO)


## Graphite potential
* todos
    * [ ] check with Zheyong about implementing Kolmogorov-Crespi potential (RDIP)
    * [ ] look for RDIP competitor(s)
    * compile reference data from literature in a MEMO issue
        * [ ] lattice constants
        * [ ] elastic constants
        * [ ] optical frequencies of out-of-plane modes (IR/Raman)
        * [ ] interlayer cohesive energy
    * [ ] "fit" (manually if necessary) a LJ potential to cohesive energy and lattice constant; check how it works for the other properties
    * [ ] fit more general pair potential (Morse, double-Morse)
    * [ ] figure out how to incorporate IR data --> derived property atomicrex to fit primitive frequency



submit vacation

Lattice expansion to FC hiphive

discuss frequency fitting after summer

write down rant about freq vs forces

post presentation to paul

get chris going

finish meeting note and post