[xcrysden] Fermi surface plot issues

Sonu Kumar 1009ukumar at gmail.com
Mon Oct 17 15:41:06 CEST 2016


Dear Xcrysden users,

I am trying to plot Fermi surface for different grids dimensions
such as 20x20x1, 60x60x1 or 20x20x2; however
errors come.

The error for 20x20x1 grid (similar to 60x60x1; for 20x20x2 a different
error) is:

Reading band: 1    Min-value: -4.534684   Max-value: -2.491668
Reading band: 2    Min-value: -3.448455   Max-value: -2.491654
Reading band: 3    Min-value: -0.641007   Max-value: 0.148648
TEXT-WIDGET: .a0.f1.t
NBANDS = 3
FS:----------------
FS: N == 19, 19, 0
FS: frmin == -0.667, -0.667, -0.500
FS: frmax ==  0.667,  0.667,  0.500
FS: min[0] = -12.667   ;  max[0] = 12.667
FS: min[1] = -12.667   ;  max[1] = 12.667
FS: min[2] = -0.000   ;  max[2] =  0.000
FS: Imin == -19, -19, 0
FS: Imax == 19, 19, 0
FS: frImin == -1.000000, -1.000000, -nan
FS: frImax == 1.000000, 1.000000, -nan
FS: mols(i,j,k) == 39 39 1
FS: mols->lowcoor == -nan -nan -nan
FS: interp_n[] == 1, 1, 1
gradient_SurfNmlNew used,             normals address=41299232
Number of IN triangles:  0
Number of IN vertices:   0
Number of OUT triangles: 0
Number of OUT vertices:  0

I am attaching the bxsf file for 20x20x1 and 20x20x2 grids.

With kind regards,
kumar
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