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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ATOMIC_POSITI<strong>ON</strong>S (alat)c’Al2Al 0.0 0.0 0.0Al 0.5 0.5 0.5a’Al1aa’=sqrt(2)/2 * ac’= ac’/a’= sqrt(2)