mol.dat
data for molecule obtained using fitting and dependence of 1000 eV results
xk3_dk3.dat
xMP2 from kpt333 (up to 1000 eV, then corrected)
dMP2 from kpt333 (full)
xk3_dk4.dat
xMP2 from kpt333 (up to 1000 eV, then corrected)
dMP2 from kpt444 (up to 1100 eV, then corrected)
