diff --git a/examples/latte/data.graphene.boxrel b/examples/latte/data.graphene.boxrel
new file mode 100644
index 0000000000000000000000000000000000000000..5455a2eeb6cc1756e6c5ad5af01069aa5f01d866
--- /dev/null
+++ b/examples/latte/data.graphene.boxrel
@@ -0,0 +1,49 @@
+ LAMMPS Description
+
+ 32 atoms
+
+ 1 atom types
+
+ 0.0000000000000000 10.000000000000000 xlo xhi
+ 0.0000000000000000 8.0000000000000000 ylo yhi
+ 0.0000000000000000 20.000000000000000 zlo zhi
+ 4.8985871965894128E-016 1.2246467991473533E-015 1.2246467991473533E-015 xy xz yz
+
+ Masses
+
+ 1 12.010000000000000
+
+ Atoms
+
+ 1 1 1 0.0 4.93100 4.25000 0.00500
+ 2 1 1 0.0 8.62100 2.12100 0.14000
+ 3 1 1 0.0 3.70700 2.12600 0.14700
+ 4 1 1 0.0 7.38200 4.25400 0.07800
+ 5 1 1 0.0 2.47900 4.25400 0.08000
+ 6 1 1 0.0 6.15800 6.37400 -0.01000
+ 7 1 1 0.0 1.23700 6.38300 0.06600
+ 8 1 1 0.0 1.24000 2.12100 0.14600
+ 9 1 1 0.0 6.15500 2.12600 0.12900
+ 10 1 1 0.0 0.00700 4.25200 0.12200
+ 11 1 1 0.0 8.62100 6.38500 0.04100
+ 12 1 1 0.0 3.70000 6.37400 -0.01000
+ 13 1 1 0.0 0.00600 1.41600 0.13000
+ 14 1 1 0.0 4.93000 1.40800 0.14700
+ 15 1 1 0.0 8.61800 3.54600 0.11500
+ 16 1 1 0.0 3.70800 3.55300 0.08400
+ 17 1 1 0.0 7.39400 5.68000 0.03500
+ 18 1 1 0.0 2.46500 5.68000 0.03500
+ 19 1 1 0.0 6.16000 7.80500 0.02700
+ 20 1 1 0.0 1.23800 7.81100 0.06000
+ 21 1 1 0.0 2.47300 1.41800 0.16100
+ 22 1 1 0.0 7.38900 1.41700 0.14800
+ 23 1 1 0.0 1.24200 3.54700 0.12600
+ 24 1 1 0.0 6.15300 3.55300 0.07400
+ 25 1 1 0.0 0.00700 5.67800 0.09700
+ 26 1 1 0.0 4.93100 5.66800 -0.03100
+ 27 1 1 0.0 8.62000 7.81300 0.03900
+ 28 1 1 0.0 3.70100 7.80200 0.03700
+ 29 1 1 0.0 0.00700 -0.01000 0.08900
+ 30 1 1 0.0 4.93100 -0.01500 0.16100
+ 31 1 1 0.0 2.47300 -0.01200 0.14400
+ 32 1 1 0.0 7.38900 -0.01300 0.14800
diff --git a/examples/latte/in.graphene.boxrel b/examples/latte/in.graphene.boxrel
new file mode 100644
index 0000000000000000000000000000000000000000..876dedd2b1562205d1548236c96cb388c3cd6fad
--- /dev/null
+++ b/examples/latte/in.graphene.boxrel
@@ -0,0 +1,44 @@
+# Simple water model with LATTE
+
+units metal
+atom_style full
+atom_modify sort 0 0.0 # turn off sorting of the coordinates
+
+read_data data.graphene.boxrel
+
+# replicate system if requested
+
+variable x index 1
+variable y index 1
+variable z index 1
+
+variable nrep equal v_x*v_y*v_z
+if "${nrep} > 1" then "replicate $x $y $z"
+
+# initialize system
+
+velocity all create 0.0 87287 loop geom
+
+pair_style zero 1.0
+pair_coeff * *
+
+neighbor 1.0 bin
+neigh_modify every 1 delay 0 check yes
+
+timestep 0.00025
+
+fix 1 all box/relax iso 0.0 vmax 0.001
+
+fix 2 all latte NULL
+fix_modify 2 energy yes
+
+thermo_style custom etotal
+
+# minimization
+
+thermo 1
+fix 3 all print 1 "Total Energy ="
+min_style cg
+min_modify dmax 0.1
+min_modify line quadratic
+minimize 1.0e-4 1.0e-4 10000 10000
diff --git a/examples/latte/latte.in b/examples/latte/latte.in
index b8b214b78b4847ee4a58c0a03e6f8a94adc78e4b..c5a1cb47149aea2f0799ca45910848289f6f4f12 100644
--- a/examples/latte/latte.in
+++ b/examples/latte/latte.in
@@ -9,9 +9,8 @@ LATTE INPUT FILE
#General controls
CONTROL{
- xControl= 1
+ XCONTROL= 1
BASISTYPE= NONORTHO
- COORDSFILE= "./coords.dat"
PARAMPATH= "./TBparam"
KBT= 0.0
ENTROPYKIND= 1
@@ -33,8 +32,3 @@ CONTROL{
KON= 0
}
-#Controls for QMD (if using lammps MAXITER must be set to -1)
-MDCONTROL{
- MAXITER= -1
-}
-