Kerr Effect Tutorials
Posted: Mon Oct 17, 2016 2:00 pm
Hello,
I have a problem with first part of Kerr Effect Tutorials.
I downloaded the tutorial files and followed up the steps without any modification of files.
However, in terms of dielectric function, there is a huge difference around the region of low energy part.
Here is my result figure of first tutorial part.
https://drive.google.com/file/d/0Bz9z8k ... sp=sharing
I use yambo 3.4.2 which is suggested version.
Input file is like following which is provided from website.
The results is
Very first part always show the 0.0000 value in imaginary part.
For the other parts, the shape shows similar to figure presented on the website.
In order to test the SAVE file, I also generated and tested the SAVE files from the abinit input files which is provided.
From those generated SAVE files, yambo shows same results.
What can be the problem?
Thank you!
Best regards,
KISUNG KANG
I have a problem with first part of Kerr Effect Tutorials.
I downloaded the tutorial files and followed up the steps without any modification of files.
However, in terms of dielectric function, there is a huge difference around the region of low energy part.
Here is my result figure of first tutorial part.
https://drive.google.com/file/d/0Bz9z8k ... sp=sharing
I use yambo 3.4.2 which is suggested version.
Input file is like following which is provided from website.
Code: Select all
# __ __ ________ ___ __ __ _______ ______
# /_/\/_/\ /_______/\ /__//_//_/\ /_______/\ /_____/\
# \ \ \ \ \\::: _ \ \\::\| \| \ \\::: _ \ \\:::_ \ \
# \:\_\ \ \\::(_) \ \\:. \ \\::(_) \/_\:\ \ \ \
# \::::_\/ \:: __ \ \\:.\-/\ \ \\:: _ \ \\:\ \ \ \
# \::\ \ \:.\ \ \ \\. \ \ \ \\::(_) \ \\:\_\ \ \
# \__\/ \__\/\__\/ \__\/ \__\/ \_______\/ \_____\/
#
# Version 3.3.1 Revision 2085
# http://www.yambo-code.org
#
optics # [R OPT] Optics
bse # [R BSE] Bethe Salpeter Equation.
BSEmod= "causal" # [BSE] resonant/causal/coupling
BSKmod= "IP" # [BSE] IP/Hartree/HF/ALDA/SEX/BSfxc
Gauge= "velocity" # [BSE] Gauge (length|velocity). In metals length misses An-Hall
DrudeWBS= ( 4.800000 , 5.650000 ) eV # [BSE] Drude plasmon
% BEnRange
0.000000 | 8.000000 | eV # [BSS] Energy range
%
% BDmRange
0.300000 | 0.500000 | eV # [BSS] Damping range
%
BEnSteps= 400 # [BSS] Energy steps
% BLongDir
1.000000 | 0.000000 | 0.000000 | # [BSS] [cc] Electric Field
%
% BSEBands
1 | 20 | # [BSK] Bands range
%
Code: Select all
# ____ ____ _ ____ ____ ______ ___
# |_ _||_ _| / \ |_ \ / _||_ _ \ ." `.
# \ \ / / / _ \ | \/ | | |_) | / .-. \
# \ \/ / / ___ \ | |\ /| | | __". | | | |
# _| |_ _/ / \ \_ _| |_\/_| |_ _| |__) |\ `-" /
# |______||____| |____||_____||_____||_______/ `.___."
#
# GPL Version 3.4.2 Revision 93
# http://www.yambo-code.org
#
# Absorption @ Q(1) [q->0 direction] : 1.000000 0.000000 0.000000
#
#
#
# - The Green`s function is causal -
# - Using the Velocity Gauge -
# - [r,Vnl] *is* included -
#
#
# E/ev[1] eps /Im[2] eps /Re[3]
#
0.000000 0.000000 1.000000
0.2005E-1 1540. -16.05
0.4010E-1 892.7 -9.350
0.6015E-1 615.3 0.7542E-2
0.8020E-1 468.8 3.795
0.1003 379.3 5.365
0.1203 319.3 5.387
0.1404 276.5 5.400
0.1604 244.5 5.510
0.1805 219.7 4.663
0.2005 199.8804 3.7639
0.2206 183.7056 2.7739
0.2406 170.1920 1.2663
0.2607 158.7 0.9143E-1
0.2807 148.6616 -1.2722
0.3008 139.8044 -2.9538
0.3208 131.8161 -4.4217
0.3409 124.4958 -6.1356
0.3609 117.6856 -7.4896
0.3810 111.2762 -9.0157
0.4010 105.1925 -10.2342
0.42105 99.39152 -11.33695
0.44110 93.85189 -12.22295
0.46115 88.57468 -12.81132
0.48120 83.57115 -13.16398
0.50125 78.85963 -13.14044
0.52130 74.45914 -12.96109
0.54135 70.38425 -12.60153
0.56140 66.64371 -12.10725
0.58145 63.23386 -11.39925
0.60150 60.14822 -10.61833
0.62155 57.36956 -9.75511
0.64160 54.87816 -8.92220
0.66165 52.64769 -8.09894
0.68170 50.65144 -7.30885
0.70175 48.85941 -6.53428
0.72180 47.24635 -5.80607
0.74185 45.78427 -5.14785
0.76190 44.45052 -4.58812
0.78195 43.22358 -4.04444
0.80201 42.08517 -3.57405
0.82206 41.01907 -3.17506
0.84211 40.01144 -2.80780
0.86216 39.05117 -2.46019
0.88221 38.13116 -2.16187
0.90226 37.24529 -1.88012
0.92231 36.39024 -1.63259
0.94236 35.56479 -1.37611
0.96241 34.76795 -1.12881
0.98246 34.00313 -0.89657
1.00251 33.27282 -0.63439
1.02256 32.57973 -0.37442
1.04261 31.92846 -0.09998
1.06266 31.32154 0.16306
1.08271 30.76028 0.44516
1.10276 30.24651 0.70368
1.12281 29.77881 0.95027
1.14286 29.35625 1.20651
1.16291 28.97477 1.42862
1.18296 28.63178 1.63022
1.20301 28.32182 1.80767
1.22306 28.04060 1.93993
1.24311 27.78287 2.06193
1.26316 27.54277 2.13946
1.28321 27.31438 2.18438
1.30326 27.09272 2.21906
1.32331 26.87278 2.21012
1.34336 26.64911 2.17738
1.36341 26.41742 2.12745
1.38346 26.17376 2.04836
1.40351 25.91503 1.95797
1.42356 25.63899 1.85744
1.44361 25.34449 1.74990
1.46366 25.03094 1.64232
1.48371 24.69873 1.54668
1.50376 24.34986 1.46018
1.52381 23.98606 1.36837
1.54386 23.60967 1.30708
1.56391 23.22465 1.26316
1.58396 22.83337 1.24550
1.60401 22.43998 1.25690
1.62406 22.04820 1.28299
1.64411 21.66208 1.34330
1.66416 21.28407 1.42459
1.68421 20.91846 1.53029
1.70426 20.56767 1.65586
1.72431 20.23605 1.80327
1.74436 19.92482 1.97184
1.76441 19.63735 2.16601
1.78446 19.37575 2.36956
1.80451 19.14132 2.58504
1.82456 18.93600 2.81337
1.84461 18.76025 3.04704
1.86466 18.61559 3.28873
1.88471 18.50196 3.52484
1.90476 18.41939 3.76026
1.92481 18.36699 3.99227
1.94486 18.34539 4.21097
1.96491 18.35281 4.42100
1.98496 18.38762 4.61738
2.00501 18.44921 4.79541
2.02506 18.53423 4.95476
2.04511 18.64048 5.09105
2.06516 18.76534 5.19870
2.08521 18.90594 5.28284
2.10526 19.05797 5.34332
2.12531 19.21853 5.36961
2.14536 19.38467 5.37035
2.16541 19.55248 5.34625
2.18546 19.71825 5.28783
2.20551 19.87996 5.20879
2.22556 20.03416 5.10559
2.24561 20.17966 4.97619
2.26566 20.31406 4.82944
2.28571 20.43576 4.66211
2.30576 20.54395 4.48107
2.32581 20.63788 4.28456
2.34586 20.71656 4.07249
2.36591 20.77957 3.85537
2.38597 20.82583 3.62165
2.40602 20.85600 3.38255
2.42607 20.86949 3.13762
2.44612 20.86601 2.89195
2.46617 20.84545 2.64033
2.48622 20.80825 2.38878
2.50627 20.75409 2.13251
2.52632 20.68292 1.88185
2.54637 20.59526 1.63364
2.56642 20.49085 1.39096
2.58647 20.37126 1.15367
2.60652 20.23684 0.92572
2.62657 20.08854 0.70749
2.64662 19.92793 0.50171
2.66667 19.75680 0.31049
2.68672 19.57631 0.13153
2.70677 19.38968 -0.03166
2.72682 19.19861 -0.17887
2.74687 19.00519 -0.30713
2.76692 18.81194 -0.42207
2.78697 18.62049 -0.51946
2.80702 18.43364 -0.60395
2.82707 18.25240 -0.67455
2.84712 18.07834 -0.73381
2.86717 17.91307 -0.78043
2.88722 17.75755 -0.81484
2.90727 17.61294 -0.84575
2.92732 17.47929 -0.86905
2.94737 17.35756 -0.88720
2.96742 17.24822 -0.90338
2.98747 17.15105 -0.91710
3.00752 17.06627 -0.92946
3.02757 16.99359 -0.94464
3.04762 16.93229 -0.96321
3.06767 16.88205 -0.98711
3.08772 16.84202 -1.01712
3.10777 16.81131 -1.05467
3.12782 16.78848 -1.10047
3.14787 16.77252 -1.15844
3.16792 16.76183 -1.22477
3.18797 16.75501 -1.30311
3.20802 16.75033 -1.39452
3.22807 16.74696 -1.49607
3.24812 16.74239 -1.61230
3.26817 16.73547 -1.73791
3.28822 16.72460 -1.87660
3.30827 16.70842 -2.02831
3.32832 16.68525 -2.18994
3.34837 16.65344 -2.36103
3.36842 16.61200 -2.54360
3.38847 16.55900 -2.73335
3.40852 16.49396 -2.93173
3.42857 16.41474 -3.13444
3.44862 16.32144 -3.34005
3.46867 16.21284 -3.55052
3.48872 16.08882 -3.75885
3.50877 15.94901 -3.96688
3.52882 15.79395 -4.16999
3.54887 15.62455 -4.36899
3.56892 15.44160 -4.55674
3.58897 15.24639 -4.73811
3.60902 15.04059 -4.90722
3.62907 14.82534 -5.06591
3.64912 14.60261 -5.21323
3.66917 14.37426 -5.34760
3.68922 14.14157 -5.46918
3.70927 13.90558 -5.57959
3.72932 13.66782 -5.67988
3.74937 13.42902 -5.76774
3.76942 13.19013 -5.84540
3.78947 12.95176 -5.91402
3.80952 12.71433 -5.97215
3.82957 12.47769 -6.02140
3.84962 12.24260 -6.06259
3.86967 12.00911 -6.09537
3.88972 11.77778 -6.12008
3.90977 11.54867 -6.13646
3.92982 11.32223 -6.14527
3.94987 11.09875 -6.14614
3.96993 10.87900 -6.13909
3.98997 10.66352 -6.12458
4.01003 10.45270 -6.10408
4.03008 10.24700 -6.07752
4.05013 10.04690 -6.04566
4.070176 9.852642 -6.008393
4.090226 9.664184 -5.966389
4.110276 9.482124 -5.919865
4.130326 9.305793 -5.872016
4.150376 9.135288 -5.822252
4.170426 8.970190 -5.770442
4.190476 8.810174 -5.717053
4.210526 8.654967 -5.663412
4.230577 8.503894 -5.608531
4.250627 8.356589 -5.554471
4.270677 8.212382 -5.500478
4.290727 8.071138 -5.445133
4.310777 7.932533 -5.390213
4.330827 7.796114 -5.335196
4.350877 7.661733 -5.279264
4.370927 7.529159 -5.223117
4.390977 7.398514 -5.164741
4.411028 7.269466 -5.105393
4.431077 7.142107 -5.045683
4.451128 7.016504 -4.985182
4.471178 6.892456 -4.922864
4.491229 6.770291 -4.859434
4.511278 6.649757 -4.793148
4.531328 6.531056 -4.726810
4.551379 6.414088 -4.657661
4.571429 6.298958 -4.588098
4.591479 6.185766 -4.516157
4.611529 6.074500 -4.441288
4.631579 5.965330 -4.365067
4.651629 5.858472 -4.286068
4.671679 5.753985 -4.205474
4.691730 5.652201 -4.122398
4.711780 5.553363 -4.036829
4.731830 5.457700 -3.948644
4.751880 5.365557 -3.859730
4.771930 5.277273 -3.767590
4.791980 5.193048 -3.672740
4.812030 5.113018 -3.577892
4.832080 5.037496 -3.481562
4.852130 4.966666 -3.383767
4.872181 4.900475 -3.285921
4.892231 4.839078 -3.187839
4.912281 4.782417 -3.090225
4.932331 4.730490 -2.992206
4.952381 4.682962 -2.896308
4.972431 4.639783 -2.801450
4.992481 4.600628 -2.708393
5.012532 4.565269 -2.616964
5.032581 4.533409 -2.527020
5.052632 4.504703 -2.440652
5.072682 4.478875 -2.355149
5.092732 4.455595 -2.272259
5.112782 4.434600 -2.191875
5.132832 4.415693 -2.113316
5.152883 4.398668 -2.037561
5.172932 4.383300 -1.963182
5.192983 4.369555 -1.890800
5.213033 4.357237 -1.820462
5.233083 4.346369 -1.752156
5.253133 4.336795 -1.685081
5.273183 4.328555 -1.619407
5.293233 4.321489 -1.555109
5.313283 4.315628 -1.493010
5.333333 4.310960 -1.432471
5.353384 4.307352 -1.372422
5.373434 4.304822 -1.314237
5.393484 4.303395 -1.256898
5.413534 4.303038 -1.201022
5.433584 4.303833 -1.146121
5.453634 4.305863 -1.092021
5.473684 4.309071 -1.038670
5.493734 4.313641 -0.986758
5.513785 4.319726 -0.936010
5.533835 4.327364 -0.886308
5.553885 4.336601 -0.838575
5.573935 4.347578 -0.791504
5.593985 4.360328 -0.745628
5.614036 4.374966 -0.702549
5.634085 4.391310 -0.660679
5.654136 4.409463 -0.621618
5.674186 4.429101 -0.585054
5.694236 4.450108 -0.551004
5.714286 4.472275 -0.520306
5.734336 4.495239 -0.492300
5.754386 4.518754 -0.468336
5.774436 4.542330 -0.447438
5.794487 4.565560 -0.429884
5.814537 4.588335 -0.415566
5.834587 4.610065 -0.404246
5.854637 4.630506 -0.396319
5.874687 4.649234 -0.390480
5.894737 4.666068 -0.387864
5.914787 4.680696 -0.387748
5.934837 4.693181 -0.388645
5.954887 4.703219 -0.391225
5.974937 4.710837 -0.394570
5.994987 4.716012 -0.399360
6.015038 4.718820 -0.403956
6.035088 4.719376 -0.409162
6.055138 4.717727 -0.414023
6.075188 4.714070 -0.418250
6.095238 4.708573 -0.422714
6.115288 4.701476 -0.426033
6.135339 4.692958 -0.427742
6.155388 4.683094 -0.429004
6.175439 4.672203 -0.428967
6.195489 4.660599 -0.428146
6.215539 4.648347 -0.425361
6.235589 4.635658 -0.421520
6.255640 4.622753 -0.416171
6.275690 4.609876 -0.409638
6.295739 4.597290 -0.402114
6.315790 4.585056 -0.393242
6.335840 4.573558 -0.383161
6.355890 4.562787 -0.372325
6.375940 4.552920 -0.360962
6.395990 4.544191 -0.347839
6.416040 4.536597 -0.334721
6.436090 4.530326 -0.320889
6.456141 4.525442 -0.306182
6.476191 4.521989 -0.292163
6.496241 4.520009 -0.277701
6.516291 4.519528 -0.263505
6.536341 4.520777 -0.249898
6.556391 4.523542 -0.236513
6.576441 4.527951 -0.224217
6.596491 4.533873 -0.213075
6.616541 4.541406 -0.202810
6.636592 4.550474 -0.193952
6.656642 4.560884 -0.186800
6.676692 4.572550 -0.181592
6.696742 4.585377 -0.178275
6.716792 4.599009 -0.177532
6.736842 4.613225 -0.179761
6.756892 4.627772 -0.184480
6.776943 4.642087 -0.192143
6.796993 4.655947 -0.202569
6.817043 4.668826 -0.215897
6.837093 4.680259 -0.232519
6.857143 4.689848 -0.251873
6.877193 4.697185 -0.273166
6.897243 4.701949 -0.296418
6.917294 4.703878 -0.321739
6.937343 4.702598 -0.348041
6.957394 4.698070 -0.375273
6.977444 4.690367 -0.402536
6.997494 4.679535 -0.429421
7.017544 4.665673 -0.455729
7.037594 4.649117 -0.480862
7.057645 4.630008 -0.504468
7.077694 4.608942 -0.526268
7.097744 4.586187 -0.546616
7.117795 4.562181 -0.564231
7.137845 4.537261 -0.580466
7.157895 4.511705 -0.594777
7.177945 4.485868 -0.607270
7.197996 4.459954 -0.618105
7.218045 4.434109 -0.627517
7.238095 4.408422 -0.635824
7.258145 4.383030 -0.643194
7.278196 4.357776 -0.649750
7.298246 4.332726 -0.655370
7.318296 4.307726 -0.660714
7.338346 4.282792 -0.665601
7.358397 4.257746 -0.669650
7.378446 4.232566 -0.672886
7.398496 4.207239 -0.675817
7.418547 4.181742 -0.678043
7.438597 4.156178 -0.679582
7.458647 4.130512 -0.679446
7.478697 4.104861 -0.679451
7.498747 4.079335 -0.677834
7.518797 4.054143 -0.675279
7.538847 4.029355 -0.671789
7.558897 4.005237 -0.667562
7.578948 3.981756 -0.662403
7.598998 3.959095 -0.656638
7.619048 3.937295 -0.650300
7.639098 3.916458 -0.643704
7.659149 3.896471 -0.637027
7.679198 3.877364 -0.630511
7.699248 3.859009 -0.623478
7.719298 3.841362 -0.617285
7.739348 3.824242 -0.611498
7.759399 3.807557 -0.606149
7.779449 3.791126 -0.601048
7.799500 3.774728 -0.596825
7.819549 3.758225 -0.592985
7.839599 3.741515 -0.589439
7.859649 3.724412 -0.586749
7.879699 3.706813 -0.583876
7.899750 3.688681 -0.581225
7.919800 3.669890 -0.578366
7.939850 3.650458 -0.575567
7.959899 3.630379 -0.572124
7.979950 3.609651 -0.568474
8.000000 3.588325 -0.564212
#
# YAMBO@golubh1 x 001 CPUs * 10/14/2016 19:06 [start]
# 10/14/2016 19:06 [end]
#
# Cpu Timing [Min/Max/Average]: 06s/06s/06s
#
# .-Input file : Inputs/02_IP-RPA_vel
# | optics # [R OPT] Optics
# | bse # [R BSE] Bethe Salpeter Equation.
# | ElecTemp=0.1000E-3 eV # Electronic Temperature
# | BoseTemp=0.1000E-3 eV # Bosonic Temperature
# | FFTGvecs= 1865 RL # [FFT] Plane-waves
# | BSEmod= "causal" # [BSE] resonant/causal/coupling
# | BSKmod= "IP" # [BSE] IP/Hartree/HF/ALDA/SEX
# | Gauge= "velocity" # [BSE] Gauge (length|velocity). In metals length misses An-Hall
# | DrudeWBS= ( 4.800000 , 5.650000 ) eV # [BSE] Drude plasmon
# | % BEnRange
# | 0.000000 | 8.000000 | eV # [BSS] Energy range
# | %
# | % BDmRange
# | 0.300000 | 0.500000 | eV # [BSS] Damping range
# | %
# | BEnSteps= 400 # [BSS] Energy steps
# | % BLongDir
# | 1.000000 | 0.000000 | 0.000000 | # [BSS] [cc] Electric Field
# | %
# | % BSEBands
# | 1 | 20 | # [BSK] Bands range
# | %
For the other parts, the shape shows similar to figure presented on the website.
In order to test the SAVE file, I also generated and tested the SAVE files from the abinit input files which is provided.
From those generated SAVE files, yambo shows same results.
What can be the problem?
Thank you!
Best regards,
KISUNG KANG