# Katherine JIa 8-8-19
# CO2 Over N

chkprim 0
strprecon 0.1
acell  11.840  11.840  30
#1.1930569325E+01  1.1930569325E+01  3.0229483086E+01
rprim  0.866 -0.5 0
       0.866  0.5 0
       0   0      1
xred   1/6 1/6 0
       #2/6 2/6 0
       4/6 1/6 0
       5/6 2/6 0
       1/6 4/6 0
       2/6 5/6 0
       4/6 4/6 0
       5/6 5/6 0
       0.2296 0.6036 6/60 #O
       5/12 5/12 6/60 #C
       0.6036 0.2296 6/60 #O
#xcart      3.2621910445E+00  0.0000000000E+00  1.0617838040E-01
#                       8.6457707454E+00 -3.4018438946E+00 -5.6791694008E-01
#                       1.1975883558E+01 -2.9511274706E+00  1.9738174006E-01
#                       8.6457707454E+00  3.4018438946E+00 -5.6791694008E-01
#                       1.1975883558E+01  2.9511274706E+00  1.9738174006E-01
#                       1.3869347665E+01  0.0000000000E+00 -5.9026932781E-02
#                       1.7331253007E+01  0.0000000000E+00  5.0057865178E-01
#                       8.6864975732E+00  2.7727593008E+00  3.0845688852E+00
#                       8.5149008747E+00  0.0000000000E+00  3.0930474559E+00
#                       8.6864975732E+00 -2.7727593008E+00  3.0845688852E+00
ntypat 4
znucl  13 7 6 8
natom  10
typat  1 1 2 1 2 1 2 4 3 4 

ecut 24
pawecutdg 48
pawovlp -1

kptopt 1
ngkpt  4 4 1
nshiftk 1
shiftk  0 0 0.5

nstep  0
toldff 5.0d-4
diemac 12.0

#optcell 1
#ionmov  2
#dilatmx 1.05
#ecutsm  0.5
#tolmxf  5.0d-4
#ntime   200