This repo was originally duplicated from https://github.com/comocheng/CO2_RR_DFT. Torrie added the Cu111/Cu3Sn0001 data and uploaded it as a separate repo instead of a fork of CO2_RR_DFT. I've moved the relevant changes to the original repo and credited Torrie without having to do a complex history merge across two repos. To avoid confusion we could remove this repo, so that in the RMG-database entries (the 3 DFT libraries we added) we can link to just one place @Torrie01 @rwest
This repo was originally duplicated from https://github.com/comocheng/CO2_RR_DFT. Torrie added the Cu111/Cu3Sn0001 data and uploaded it as a separate repo instead of a fork of CO2_RR_DFT. I've moved the relevant changes to the original repo and credited Torrie without having to do a complex history merge across two repos. To avoid confusion we could remove this repo, so that in the RMG-database entries (the 3 DFT libraries we added) we can link to just one place @Torrie01 @rwest