Enter T1x, T1y, T1z in bohr units Enter T2x, T2y, T2z in bohr units Enter T3x, T3y, T3z in bohr units Input total number of ions in unit cell For each ion, input q and tau (in fractional coordinates of T) Input Gcut for reciprocal lattice sum and error tolerance eta value for this calculation 1.206373572 Total charge = 0.0000000000E+00 lattice summation indices -- 2 2 2 Reciprocal lattice summation indices -- 8 8 5 Ewald energy in Rydbergs -21.22200012