[Wien] total energy of N2, O2, and F2

[xn22 at drexel.edu]

Hi, WIEN users:

I did calculations for total energy of N2, O2, and F2. They are:

N2: -218.61075
O2: -300.048083 (with spin polarization)
F2: -399.143937

I realized at least total energy of N2 is different with one user who posted on this list.

I am really appreciated you if you can share your results with me. I think I used
almost experimental bond-length with GGA (pw91). Two things I am worry are following:

1. I didn't put the atoms on fcc site as Peter suggested on this list. Is this make difference?

2. WIEN2k_03 trucated RKM to small number such as N2(3.66), O2(3.83), F2(4.71) even I asked standrad 7 in case.in1 file. Is this also influence the output of total energy?

Thanks in advance for any feedback.

Happy Thanksgiving.

Xiliang