The new Lobster workflow will first compute all ICOHPs (this is fast) and only generate very small COHPCAR files (1 cohpstep). In a second step, COHPCARs for relevant bonds according to the ICOHPs will be generated. This should lead to a significant speedup. Additionally, it will save data storage capacity.
Summary
The new Lobster workflow will first compute all ICOHPs (this is fast) and only generate very small COHPCAR files (1 cohpstep). In a second step, COHPCARs for relevant bonds according to the ICOHPs will be generated. This should lead to a significant speedup. Additionally, it will save data storage capacity.