<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div><span>Hi All</span></div><div><br><span></span></div><div><span>The pseudopotentials in QE are obtained using PZ /PW91/PBE etc schemes. When one pseudopotential is using PZ scheme that means one is referring to Perdew Zunger paper 'Self-interaction correction to density functional approximation for many electron system', in PRB, volume 23, 1981. That paper is for self-interaction corrected formalism. But in many posts in this forum I saw the answer as SIC is not implemented in PWSCF except the case of CP. Now I am confused about the pseudopotentials I am using. Are they SIC or not? Whenever I am using a pseudopotential with the name *.pz-vbc.UPF I thought its referring to the above said paper and hence SIC. Am I wrong? Is there any other Perdew Zunger paper for LDA which is referred? Please clarify.
<br></span></div><div><span><br></span></div><div><span>Thanking in advance</span></div><div><span>Regards<br></span></div><div> </div><div>Padmaja Patnaik<br>Research Scholar<br>Dept of Physics<br>IIT Bombay<br>Mumbai, India</div></div></body></html>