HANDS-ON TUTORIAL ON THE PWscf/FPMD/CP ... - democritos
HANDS-ON TUTORIAL ON THE PWscf/FPMD/CP ... - democritos
HANDS-ON TUTORIAL ON THE PWscf/FPMD/CP ... - democritos
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Energy cut-off• WF is expanded on a finite basis of plane waves.• The size of the basis is controlled by the energy cut off ecutChecking convergence of results towards the basis sizeWHICH RESULTS?• Total energy?• Structural parameters?• …