Merge pull request #14 from UppASD/stiffness

Added additional exercises to magnon tutorial.

Author: UppASDadmin

content/magnon/Stiffness/inpsd.dat

@@ -0,0 +1,28 @@
+simid bccFe100                                    
+ncell     36       36      36                 System size            
+BC        P         P         P                 Boundary conditions (0=vacuum, P=periodic)
+cell         -0.5000000000    0.5000000000    0.5000000000
+              0.5000000000   -0.5000000000    0.5000000000
+              0.5000000000    0.5000000000   -0.5000000000
+Sym       1                                     Symmetry of lattice (0 for no, 1 for cubic, 2 for 2d cubic, 3 for hexagonal)
+
+posfile   ./posfile
+posfiletype D
+momfile   ./momfile
+exchange  ./jASD2S
+
+Initmag   3                                     Initial config of moments (1=random, 2=cone, 3=spec., 4=file)
+
+do_avrg   Y                                     Measure averages
+do_cumu Y
+plotenergy 1
+
+do_ams Y
+do_magdos Y
+qpoints D
+qfile ./qfile.kpath
+
+do_stiffness Y
+eta_max 12
+eta_min 6
+alat 2.87e-10

content/magnon/Stiffness/jASD2S

@@ -0,0 +1,16 @@
+1 1 -1 -1 -1 1.359407144 0.866
+1 1 -1 -1 0 0.688476934 1.000
+1 1 -2 -1 -1 -0.020799303 1.414
+1 1 -2 -2 -1 -0.083551918 1.658
+1 1 -2 -2 -2 -0.097112747 1.732
+1 1 -2 -2 0 0.057294178 2.000
+1 1 -3 -2 -2 -0.008225328 2.179
+1 1 -3 -2 -1 0.009990601 2.236
+1 1 -3 -1 -2 0.010266343 2.236
+1 1 -3 -3 -2 -0.062247601 2.449
+1 1 -3 -3 -1 0.015206993 2.598
+1 1 -3 -3 -3 0.141101884 2.598
+1 1 -4 -2 -2 -0.017295031 2.828
+1 1 -4 -3 -2 0.001021085 2.958
+1 1 -3 -3 0 0.023401480 3.000
+1 1 -4 -3 -3 0.006667592 3.000

content/magnon/Stiffness/momfile

@@ -0,0 +1 @@
+1 1 2.2459 0.0 0.0 1.0 0.0

content/magnon/Stiffness/posfile

@@ -0,0 +1 @@
+1 1   0.000000  0.000000  0.000000