latte.in added

examples/latte/latte.in

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+LATTE INPUT FILE
+================
+#This input file resumes the content of MDcontroller and TBparam/control.in
+#The parser will only read it if it's present inside the running folder. 
+#In case this file is not present Latte will read the two files as original.
+#The order of the kewords is not important in this file. 
+#To get a full description of these keywords please see: 
+## https://github.com/lanl/LATTE/blob/master/Manual/LATTE_manual.pdf
+
+#General controls
+CONTROL{
+  xControl= 1
+  BASISTYPE= NONORTHO
+  COORDSFILE= "./coords.dat"
+  KBT= 0.0
+  ENTROPYKIND= 1
+  PPOTON= 1 
+  SPINON= 0 SPINTOL= 1.0e-4
+  ELECTRO= 1 ELECMETH= 0 ELEC_QTOL= 1.0e-8
+  MAXSCF= 450
+  BREAKTOL= 1.0E-6 MINSP2ITER= 22 SP2CONV= REL
+  FULLQCONV= 0 QITER= 3
+  QMIX= 0.25 SPINMIX= 0.25 MDMIX= 0.25
+  SPARSEON= 1 THRESHOLDON= 1 NUMTHRESH= 1.0e-6 FILLINSTOP= 100 BLKSZ= 4
+  MSPARSE= 1500
+  RELAX= 0 RELAXTYPE= SD MAXITER= 100000 RLXFTOL= 0.0000001
+  SKIN= 1.0
+  CHARGE= 0
+  XBO= 1
+  XBODISON= 1
+  XBODISORDER= 5
+  KON= 0
+}
+
+#Controls for QMD (if using lammps MAXITER must be set to -1)
+MDCONTROL{
+  MAXITER= -1
+}
+