<html dir=""><head><style id="axi-htmleditor-style" type="text/css">p { margin: 0px; }</style></head><body style="font-size: 10pt; font-family: Arial; background-image: none; background-repeat: repeat; background-attachment: fixed;"><div align="left">Dear QE users,<br><br>The total magnetization of the system consist of one fluorine adatom on the graphene sheet in a 3 by 3 supercell obtained by both PBE and PBE0 is nearly zero. No fix magnetization imposed to system, in spite of the odd number of electrons, and let it to be determined during the self-consistent cycles. <br>This result is inconsistent with experiments. <br><br> ibrav = 4,<br> celldm(1) = 13.999489019,<br> celldm(3) = 2.7,<br> nat = 19,<br> ntyp = 2,<br> ecutwfc = 80 ,<br> nbnd = 43,<br> input_dft = 'PBE0' ,<br> occupations = 'smearing' ,<br> degauss = 0.02 ,<br> smearing = 'gaussian' ,<br> nspin = 2 ,<br> starting_magnetization(2) = 1.0,<br> exxdiv_treatment = 'gygi-baldereschi' ,<br> x_gamma_extrapolation = .false. ,<br> nqx1 = 1 ,<br> nqx2 = 1 ,<br> nqx3 = 1 ,<br><br><br></div><br><div class="x-axi-signature">Best regards,<div class="x-axi-signature" style="; font-size: 10pt; font-family: Arial;"><div><br></div><div>F. Marsusi,<br><br><br></div></div></div></body></html>