my material is a metallic ternary. I set ismear=-5, ALGO=Normal. The SCF calculation is failing to converge and has entered an oscillation (slight increases and decreases in energy) after step 35. Then I tried ismear=0, SIGMA = 0.05， it converged. Is it a must to set ismear=-5 if I use lobster fot COHP analysis?
my material is a metallic ternary. I set ismear=-5, ALGO=Normal. The SCF calculation is failing to converge and has entered an oscillation (slight increases and decreases in energy) after step 35. Then I tried ismear=0, SIGMA = 0.05， it converged. Is it a must to set ismear=-5 if I use lobster fot COHP analysis?