<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;"><div id="yiv622157228">hello<br>
I have acquired 9 wannier functions for CrAs ( zince blend structure ) .<br>
can I acquire new wannier functions ( num_ wann> 9 ) with select proper projection? <br>
<br>
num_bands = 16<br>
num_wann = 9<br>
Fermi_energy = 7.2202<br> <br>
dis_froz_max = 10<br>
dis_win_max = 20<br>
exclude_bands = 1-4<br> begin unit_cell_cart<br>
bohr<br>
-5.345566537 0.000000000 5.345566537<br>
0.000000000 5.345566537 5.345566537<br>
-5.345566537 5.345566537 0.000000000<br>
end unit_cell_cart<br>
begin atoms_frac<br>
Cr 0.00 0.00 0.00<br>
As 0.25 0.25 0.25<br>
end atoms_frac<br>
begin projections<br>
cr:d<br>
f=-0.125,-0.125, 0.375:s<br>
f= 0.375,-0.125,-0.125:s<br>
f=-0.125, 0.375,-0.125:s<br>
f=-0.125,-0.125,-0.125:s<br>
end projections<br> begin kpoint_path<br>
! L 0.50000 0.50000 0.5000 G 0.00000 0.00000 0.0000<br>
! G 0.00000 0.00000 0.0000 X 0.50000 0.00000 0.5000<br>
! X 0.50000 0.00000 0.5000 K 0.37500 -0.37500 0.0000<br>
! K 0.37500 -0.37500 0.0000 G 0.00000 0.00000 0.0000<br>
! end kpoint_path<br>
! KPOINTS<br>
mp_grid : 6 6 6<br>
<br>
</div></td></tr></table><br>