[QE-users] Do not reuse previous rho during relaxations

Antoine Jay ajay at laas.fr
Mon Aug 3 12:49:16 CEST 2020


Dear all,
Is it possible to perform a relaxation calculation without using the charge density of the previous geometry?
startingpot and startingwfc have no influence on the second optimized geometry...

Best regards,

Antoine Jay
LAAS-CNRS
Toulouse, France
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