Based on more extensive tests that also involved a broad range of smearings, a new set of protocols were devised:
Name
Smearing (Ry)
k-points distance (1/A)
Precision
0.0125
0.10
Efficiency
0.0200
0.15
Fast
0.0275
0.30
Here we already update the values in the PwBaseWorkChain protocol file. In a future PR it would be nice to set up a system for protocol aliasing, so we can also change the names without breaking protocol methods downstream.
Based on more extensive tests that also involved a broad range of smearings, a new set of protocols were devised:
Here we already update the values in the
PwBaseWorkChainprotocol file. In a future PR it would be nice to set up a system for protocol aliasing, so we can also change the names without breaking protocol methods downstream.