Editing INCAR (section)

==Tips for efficient electronic relaxations==

*Some simple systems, such as molecules and conductors, allow you to use the Fast algorithm. This algorithm parallelizes well. 
   ALGO   =   Fast  # Normal: general purpouse; Fast: Good for conductors. 

*For relaxations in big systems and NEBs, lowering the threshold for electronic convergence can save a lot of cpu-hours. Increase NELMIN to preserve accuracy after several ionic steps:
   EDIFF  =   1E-3  # Or 1E-4 for each moving nucleus in your POSCAR file
   NELMIN =   5     # Or 5. To increase this value further may rise computational burden without adding precision to the forces.  

*For very precise calculations, a rule-of-thumb is EDIFF=EDDIFG*0.1 if EDDIFG is positive (energy criterion), or EDIFF=-EDDIFG*0.001 if EDIFFG is negative (force criterion).


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