[Pw_forum] Why the calculated equilibrium lattice parameters are significantly larger than the experiment?

[岩 李]

Dear all,
  
 
  I was using a pseudopotential made by ld1.x to simulate the equation of states. But the equilibrium lattice parameters are much larger than the experiment. No improvements have been achieved although rcut is increased in the pseudopotenitals. Would you please tell me what else can affect the results in spite of the rcut? 
   
  Best regards,
  Yan Li

       
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