[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/xcrysden/attachments/20161017/7922795e/attachment-0001.htm
-------------- next part --------------
A non-text attachment was scrubbed...
Name: see_20x20x1.bxsf
Type: application/octet-stream
Size: 12054 bytes
Desc: not available
Url : http://www.democritos.it/pipermail/xcrysden/attachments/20161017/7922795e/attachment-0002.obj
-------------- next part --------------
A non-text attachment was scrubbed...
Name: see_20x20x2.bxsf
Type: application/octet-stream
Size: 23796 bytes
Desc: not available
Url : http://www.democritos.it/pipermail/xcrysden/attachments/20161017/7922795e/attachment-0003.obj
More information about the XCrySDen
mailing list