Hi,
I have installed mpb on my mac via fink and was trying to run through the
data analysis tutorial. I am able to run the first part of the code but
when I input the
unix% mpb tri-rods.ctl >& tri-rods.out
or
unix% h5topng -S 3 epsilon.h5
I get an ERROR: Unbound variable: as seen in the attached code below.
Does anyone have any ideas on how to fix this? It seems to be that I can't
exit the mpb program once it is running. Is there an exit or abort command
to get back to the file structure where the hdf5 is installed?
Thanks,
-Neal Pfeiffenberger
mpb> (set! num-bands 8)
mpb>
mpb> (set! geometry-lattice (make lattice (size 1 1 no-size)
... (basis1 (/ (sqrt 3) 2) 0.5)
... (basis2 (/ (sqrt 3) 2) -0.5)))
mpb> (set! geometry (list (make cylinder
... (center 0 0 0) (radius 0.2) (height infinity)
... (material (make dielectric (epsilon 12))))))
mpb>
mpb> (set! k-points (list (vector3 0 0 0) ; Gamma
... (vector3 0 0.5 0) ; M
... (vector3 (/ -3) (/ 3) 0) ; K
... (vector3 0 0 0))) ; Gamma
... (set! k-points (interpolate 4 k-points))
mpb>
mpb> (set! resolution 32)
mpb>
mpb> (run-tm (output-at-kpoint (vector3 (/ -3) (/ 3) 0)
... fix-efield-phase output-efield-z))
init-params: initializing eigensolver data
Computing 8 bands with 1.000000e-07 tolerance.
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Allocating fields...
Mesh size is 3.
Lattice vectors:
(0.866025, 0.5, 0)
(0.866025, -0.5, 0)
(0, 0, 1)
Cell volume = 0.866025
Reciprocal lattice vectors (/ 2 pi):
(0.57735, 1, -0)
(0.57735, -1, 0)
(-0, 0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
dielectric constant epsilon = 12
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing dielectric function...
16 k-points:
(0,0,0)
(0,0.1,0)
(0,0.2,0)
(0,0.3,0)
(0,0.4,0)
(0,0.5,0)
(-0.0666667,0.466667,0)
(-0.133333,0.433333,0)
(-0.2,0.4,0)
(-0.266667,0.366667,0)
(-0.333333,0.333333,0)
(-0.266667,0.266667,0)
(-0.2,0.2,0)
(-0.133333,0.133333,0)
(-0.0666667,0.0666667,0)
(0,0,0)
Solving for band polarization: tm.
Initializing fields to random numbers...
elapsed time for initialization: 0 seconds.
epsilon: 1-12, mean 2.59342, harm. mean 1.17825, 17.2852% > 1, 14.4857%
"fill"
Outputting epsilon...
solve_kpoint (0,0,0):
tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3,
tm band 4, tm band 5, tm band 6, tm band 7, tm band 8
Solving for bands 2 to 8...
Finished solving for bands 2 to 8 after 17 iterations.
tmfreqs:, 1, 0, 0, 0, 0, 0, 0.55991, 0.563583, 0.593059, 0.83873, 0.840306,
0.99663, 1.10467
elapsed time for k point: 0 seconds.
solve_kpoint (0,0.1,0):
Solving for bands 1 to 8...
Finished solving for bands 1 to 8 after 10 iterations.
tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.071172, 0.540333, 0.559812, 0.617458,
0.836387, 0.841165, 0.99062, 1.09011
elapsed time for k point: 0 seconds.
solve_kpoint (0,0.2,0):
Solving for bands 1 to 8...
Finished solving for bands 1 to 8 after 9 iterations.
tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138993, 0.509763, 0.55689, 0.654339,
0.827217, 0.846269, 0.971006, 1.05424
elapsed time for k point: 0 seconds.
solve_kpoint (0,0.3,0):
Solving for bands 1 to 8...
Finished solving for bands 1 to 8 after 8 iterations.
tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.19911, 0.480714, 0.55341, 0.693165,
0.815129, 0.852855, 0.934885, 1.02733
elapsed time for k point: 0 seconds.
solve_kpoint (0,0.4,0):
Solving for bands 1 to 8...
Finished solving for bands 1 to 8 after 7 iterations.
tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244317, 0.456697, 0.550654, 0.729495,
0.804088, 0.858348, 0.894324, 1.01551
elapsed time for k point: 0 seconds.
solve_kpoint (0,0.5,0):
Solving for bands 1 to 8...
Finished solving for bands 1 to 8 after 7 iterations.
tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262309, 0.44629, 0.549614, 0.748193,
0.798541, 0.860337, 0.87466, 1.01229
elapsed time for k point: 0 seconds.
solve_kpoint (-0.0666667,0.466667,0):
Solving for bands 1 to 8...
Finished solving for bands 1 to 8 after 8 iterations.
tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.263282, 0.448472,
0.545998, 0.751528, 0.797785, 0.862204, 0.874304, 0.99994
elapsed time for k point: 0 seconds.
solve_kpoint (-0.133333,0.433333,0):
Solving for bands 1 to 8...
Finished solving for bands 1 to 8 after 7 iterations.
tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265981, 0.454814,
0.536016, 0.760608, 0.79589, 0.867183, 0.873497, 0.973988
elapsed time for k point: 0 seconds.
solve_kpoint (-0.2,0.4,0):
Solving for bands 1 to 8...
Finished solving for bands 1 to 8 after 6 iterations.
tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269734, 0.464723, 0.521717, 0.773089,
0.793685, 0.869285, 0.877439, 0.945437
elapsed time for k point: 0 seconds.
solve_kpoint (-0.266667,0.366667,0):
Solving for bands 1 to 8...
Finished solving for bands 1 to 8 after 6 iterations.
tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273354, 0.47728,
0.505529, 0.78542, 0.792043, 0.866051, 0.887979, 0.9197
elapsed time for k point: 0 seconds.
solve_kpoint (-0.333333,0.333333,0):
Solving for bands 1 to 8...
Finished solving for bands 1 to 8 after 6 iterations.
tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.275066, 0.488935,
0.492384, 0.791161, 0.792096, 0.862667, 0.901065, 0.901498
elapsed time for k point: 0 seconds.
Fixing e-field (band 1) phase by -1 + 1.4763e-06i; max ampl. = 0.940783
Outputting fields to e.k11.b01.z.tm...
Fixing e-field (band 2) phase by -1.4763e-06 + -1i; max ampl. = 1.07949
Outputting fields to e.k11.b02.z.tm...
Fixing e-field (band 3) phase by -1 + 1.4763e-06i; max ampl. = 0.885577
Outputting fields to e.k11.b03.z.tm...
Fixing e-field (band 4) phase by -1 + 1.4763e-06i; max ampl. = 1.23035
Outputting fields to e.k11.b04.z.tm...
Fixing e-field (band 5) phase by 1.4763e-06 + 1i; max ampl. = 1.1114
Outputting fields to e.k11.b05.z.tm...
Fixing e-field (band 6) phase by 1 + -1.4763e-06i; max ampl. = 1.74762
Outputting fields to e.k11.b06.z.tm...
Fixing e-field (band 7) phase by -1 + 1.4763e-06i; max ampl. = 1.03299
Outputting fields to e.k11.b07.z.tm...
Fixing e-field (band 8) phase by 1 + -1.4763e-06i; max ampl. = 1.10418
Outputting fields to e.k11.b08.z.tm...
solve_kpoint (-0.266667,0.266667,0):
Solving for bands 1 to 8...
Finished solving for bands 1 to 8 after 6 iterations.
tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.263496, 0.472837,
0.51707, 0.763696, 0.796694, 0.869222, 0.895403, 0.934596
elapsed time for k point: 0 seconds.
solve_kpoint (-0.2,0.2,0):
Solving for bands 1 to 8...
Finished solving for bands 1 to 8 after 7 iterations.
tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222796, 0.478372, 0.539074, 0.715575,
0.808516, 0.858571, 0.9308, 0.978018
elapsed time for k point: 0 seconds.
solve_kpoint (-0.133333,0.133333,0):
Solving for bands 1 to 8...
Finished solving for bands 1 to 8 after 8 iterations.
tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.158675, 0.50311, 0.55221,
0.667273, 0.823581, 0.848579, 0.96542, 1.03138
elapsed time for k point: 0 seconds.
solve_kpoint (-0.0666667,0.0666667,0):
Solving for bands 1 to 8...
Finished solving for bands 1 to 8 after 10 iterations.
tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819748, 0.536544,
0.558261, 0.623111, 0.835721, 0.841387, 0.98872, 1.08394
elapsed time for k point: 1 seconds.
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
Finished solving for bands 2 to 8 after 10 iterations.
tmfreqs:, 16, 0, 0, 0, 0, 0, 0.55991, 0.563583, 0.593059, 0.83873,
0.840306, 0.99663, 1.10467
elapsed time for k point: 0 seconds.
Band 1 range: 0.0 at #(0 0 0) to 0.275065617068082 at #(-1/3 1/3 0)
Band 2 range: 0.446289918847647 at #(0 0.5 0) to 0.559909987966916 at #(0 0
0)
Band 3 range: 0.492383569872232 at #(-1/3 1/3 0) to 0.563582901737582 at
#(0 0 0)
Band 4 range: 0.593059067320895 at #(0 0 0) to 0.791161222813268 at #(-1/3
1/3 0)
Band 5 range: 0.792042731370126 at #(-4/15 0.366666666666667 0) to
0.838730315053236 at #(0 0 0)
Band 6 range: 0.840305955160636 at #(0 0 0) to 0.869285340346464 at #(-1/5
0.4 0)
Band 7 range: 0.873496724070656 at #(-2/15 0.433333333333333 0) to
0.996630041437541 at #(0 0 0)
Band 8 range: 0.901498234344251 at #(-1/3 1/3 0) to 1.10466577495693 at #(0
0 0)
Gap from band 1 (0.275065617068082) to band 2 (0.446289918847647),
47.4729292989214%
Gap from band 3 (0.563582901737582) to band 4 (0.593059067320895),
5.09685215854775%
Gap from band 4 (0.791161222813268) to band 5 (0.792042731370126),
0.111357548663034%
Gap from band 5 (0.838730315053236) to band 6 (0.840305955160636),
0.187683867865389%
Gap from band 6 (0.869285340346464) to band 7 (0.873496724070656),
0.483294361375103%
total elapsed time for run: 1 seconds.
done.
mpb> unix% mpb tri-rods.ctl >& tri-rods.out
ERROR: Unbound variable: unix%
ABORT: (unbound-variable)
ERROR: Unbound variable: mpb
ABORT: (unbound-variable)
ERROR: Unbound variable: tri-rods.ctl
ABORT: (unbound-variable)
ERROR: Unbound variable: >&
ABORT: (unbound-variable)
ERROR: Unbound variable: tri-rods.out
ABORT: (unbound-variable)
_______________________________________________
mpb-discuss mailing list
[email protected]
http://ab-initio.mit.edu/cgi-bin/mailman/listinfo/mpb-discuss
