Updated Fe_bcc inpsd.dat

Author: johanhellsvik

content/magnon/Fe/Fe_bcc/inpsd.dat

@@ -1,17 +1,17 @@
-simid bccFe100                                    
-ncell     10        10       10                 System size            
+simid bccFe100
+ncell     10        10       10                 System size
 BC        P         P         P                 Boundary conditions (0=vacuum, P=periodic)
-cell      1.00000   0.00000   0.00000         
+cell      1.00000   0.00000   0.00000
           0.00000   1.00000   0.00000
           0.00000   0.00000   1.00000
-Sym       0                                     Symmetry of lattice (0 for no, 1 for cubic, 2 for 2d cubic, 3 for hexagonal)
+Sym       1                                     Symmetry of lattice (0 for no, 1 for cubic, 2 for 2d cubic, 3 for hexagonal)
 
 posfile    ./posfile
 momfile    ./momfile
 exchange   ./jfile
 anisotropy ./kfile
 
-do_prnstruct 2                                  Flag to print lattice structure (0=off/1=on/2=print only coordinates)
+do_prnstruct 1                                  Flag to print lattice structure (0=off/1=on/2=print only coordinates)
 
 SDEalgh   5                                     SDE solver: 1=midpoint, 2=heun, 3=heun3, 4=Heun_proper, 5=Depondt
 Initmag   3                                     Initial config of moments (1=random, 2=cone, 3=spec., 4=file)
@@ -20,28 +20,30 @@ ip_mode   M
 ip_mcanneal 1
 10000 0.001 1.00e-16 0.95
 
-mode      M
-Temp      0.001          K                      Temperature of the system
+mode      S
+Temp      1.000          K                      Temperature of the system
 hfield    0.00000   0.00000   0.00000           Static H field
-mcNstep   50000                                 MC steps
-#damping   0.50                                  damping parameter (gamma)
-#nstep     10000                                 Number of time-steps
-#timestep  1.000e-16       s                     The time step-size for the SDE-solver
+damping   0.001                                 damping parameter (gamma)
+nstep     100000                                Number of time-steps
+timestep  1.000e-16       s                     The time step-size for the SDE-solver
 
 plotenergy 1
 
-do_avrg   N                                     Measure averages
+do_avrg   Y                                     Measure averages
 
-do_cumu N
+do_cumu Y
 cumu_step 50
 cumu_buff 10
 
 do_tottraj N                                    Measure moments
 do_proj_avrg N
-tottraj_step   100 
+tottraj_step   100
 
 do_ams Y                                        Collinear Adiabatic magnon spectra
 qpoints D                                       Direct coordinates
 qfile ./qfile                                   Path along the high symmetry points in the reciprocal space
 
-
+do_ams Y
+do_sc  Q
+sc_nstep 1000
+sc_step  40