Enter T1x, T1y, T1z in bohr units
1 0 0
  Enter T2x, T2y, T2z in bohr units
0 1 0
  Enter T3x, T3y, T3z in bohr units
0 0 1
 Input total number of ions in unit cell
2
 For each ion, input q and tau (in fractional coordinates of T)
1 0 0 0
-1 0.5 0.5 0.5
  Input Gcut for reciprocal lattice sum and error tolerance
10 1.d-6
  eta value for this calculation 7.238241196
  Total charge =  0.0000000000E+00
  lattice summation indices --  3 3 3
  Reciprocal lattice summation indices -- 3 3 3
  Ewald energy in Rydbergs -4.070729733