#
# Au_2 dimer 
#

nband   12
iscf    5
nstep   6
tolvrs  1.0d-7
wfoptalg  1
nbdblock  2
timopt    2

# System
acell  18.0 18.0 18.0
angdeg 60.0 60.0 60.0
ecut   26.0
natom  2
ntypat 1
znucl  79
typat  1 1
xangst
   0.0 0.0 -1.3550
   0.0 0.0  1.3550

# Common parameters
ixc    1
nkpt   1
kpt    0.0 0.0 0.0
wtk    1.0
occopt 1
diemac 1.0
diemix 0.5
