bandstructure Problem
Posted: Sat Aug 02, 2014 4:50 am
hello
pls tell me if i use BS4 vasp or P4vasp for bandsturcture , not showing the symmetry points in bs plot, how to define the symmetry points in this pot after making .EPS file. i am confused pls guide me.
i m sending the EIGENVAl and KPOINTS
1 1 1 2
0.1181995E+02 0.2485493E-09 0.2485493E-09 0.2485493E-09 0.5000000E-15
1.000000000000000E-004
CAR
Fe
8 44 11
0.0000000E+00 0.0000000E+00 0.0000000E+00 0.2272727E-01
1 -2.732045 -2.625422
2 3.126853 5.158328
3 3.126853 5.158328
4 3.127018 5.158683
5 4.528084 6.906241
6 4.528084 6.906241
7 30.082633 29.809220
8 30.082633 29.809225
9 30.082713 29.809225
10 35.040545 34.980879
11 35.040557 34.980879
0.5000000E-01 -0.5000000E-01 0.5000000E-01 0.2272727E-01
1 -2.531411 -2.423902
2 3.126467 5.149987
3 3.126576 5.150222
4 3.180506 5.218226
5 4.440417 6.794585
6 4.563098 6.949920
7 28.868910 28.691308
8 29.834505 29.676595
9 29.834539 29.676658
10 33.249697 33.455488
11 34.903247 35.698784
0.1000000E+00 -0.1000000E+00 0.1000000E+00 0.2272727E-01
1 -1.947071 -1.834135
2 3.143166 5.144630
3 3.143256 5.144835
4 3.338469 5.393851
5 4.188334 6.472469
6 4.663159 7.069393
7 26.936578 26.888410
8 28.692128 28.895754
9 28.692138 28.895912
10 30.713977 30.982203
11 34.224711 34.728953
0.1500000E+00 -0.1500000E+00 0.1500000E+00 0.2272727E-01
1 -1.040711 -0.904994
2 3.194157 5.171753
3 3.194245 5.171948
4 3.591275 5.674250
5 3.787150 5.965829
6 4.826535 7.236833
7 25.203505 25.295081
8 26.629534 27.127988
9 26.629536 27.128170
10 28.340828 28.607131
11 34.981258 35.273465
0.2000000E+00 -0.2000000E+00 0.2000000E+00 0.2272727E-01
1 0.044191 0.262395
2 3.278986 5.283911
3 3.322506 5.284113
4 3.322596 5.330359
5 3.900768 6.022242
6 5.109161 7.446252
7 23.807393 24.047737
8 24.307809 24.925728
9 24.307814 24.925892
10 26.362837 26.630531
11 36.541243 36.789770
0.2500000E+00 -0.2500000E+00 0.2500000E+00 0.2272727E-01
1 1.006690 1.469203
2 2.717645 4.636768
3 3.558114 5.521305
4 3.558213 5.521520
5 4.248808 6.414661
6 5.726545 7.789981
7 22.022403 22.669805
8 22.022415 22.669939
9 22.748108 23.134709
10 24.882829 25.186532
11 38.733818 38.858424
0.3000000E+00 -0.3000000E+00 0.3000000E+00 0.2272727E-01
1 1.480699 2.382238
2 2.161165 3.958380
3 3.916897 5.907330
4 3.916998 5.907548
5 4.603817 6.815444
6 7.020741 8.566006
7 19.905780 20.528146
8 19.905809 20.528225
9 21.981623 22.499628
10 23.894094 24.273101
11 36.261053 36.841052
0.3500000E+00 -0.3500000E+00 0.3500000E+00 0.2272727E-01
1 1.470338 2.752402
2 1.663147 3.359995
3 4.367159 6.420770
4 4.367278 6.421023
5 4.924939 7.179983
6 8.996991 10.039472
7 18.022096 18.577233
8 18.022144 18.577278
9 21.440554 22.068529
10 23.286734 23.757754
11 32.120241 32.773145
0.4000000E+00 -0.4000000E+00 0.4000000E+00 0.2272727E-01
1 1.241986 2.716613
2 1.273684 2.896704
3 4.849689 7.003368
4 4.849832 7.003664
5 5.182341 7.472931
6 11.371736 12.071201
7 16.489601 16.939050
8 16.489667 16.939052
9 21.095812 21.803101
10 22.732040 23.284735
11 28.489435 29.257521
0.4500000E+00 -0.4500000E+00 0.4500000E+00 0.2272727E-01
1 1.026063 2.572229
2 1.026304 2.604510
3 5.247596 7.513967
4 5.247755 7.514302
5 5.348744 7.662665
6 13.775343 14.217363
7 15.455937 15.787901
8 15.456022 15.787943
9 20.905492 21.660612
10 21.756712 22.401777
11 26.080202 26.970471
0.5000000E+00 -0.5000000E+00 0.5000000E+00 0.2272727E-01
1 0.941543 2.504774
2 0.941543 2.504774
3 5.406189 7.728146
4 5.406189 7.728146
5 5.406439 7.728678
6 15.084004 15.358652
7 15.084144 15.358746
8 15.084144 15.358746
9 20.844626 21.615723
10 20.844626 21.615723
11 25.372473 26.297106
0.5000000E+00 -0.5000000E+00 0.5000000E+00 0.2272727E-01
1 0.941543 2.504774
2 0.941543 2.504774
3 5.406189 7.728146
4 5.406189 7.728146
5 5.406439 7.728678
6 15.084004 15.358652
7 15.084144 15.358746
8 15.084144 15.358746
9 20.844626 21.615723
10 20.844626 21.615723
11 25.372473 26.297106
0.4500000E+00 -0.4500000E+00 0.5000000E+00 0.2272727E-01
1 0.983825 2.544379
2 0.985064 2.550559
3 5.290483 7.578531
4 5.324082 7.615829
5 5.412518 7.735472
6 14.715919 15.064073
7 14.873757 15.214710
8 15.271502 15.576010
9 21.011267 21.753369
10 21.308804 22.007519
11 25.693142 26.605247
0.4000000E+00 -0.4000000E+00 0.5000000E+00 0.2272727E-01
1 1.102314 2.663450
2 1.115690 2.677235
3 4.973069 7.179596
4 5.091000 7.302034
5 5.430413 7.755718
6 13.837877 14.330364
7 14.383072 14.882265
8 15.805353 16.179597
9 21.363755 22.048698
10 22.476805 23.034707
11 26.649918 27.526777
0.3500000E+00 -0.3500000E+00 0.5000000E+00 0.2272727E-01
1 1.269376 2.848838
2 1.333583 2.862686
3 4.523053 6.635693
4 4.751722 6.862262
5 5.458384 7.787367
6 12.753861 13.387544
7 13.839641 14.528394
8 16.620439 17.069808
9 21.712410 22.336072
10 24.050108 24.472994
11 28.164135 28.994606
0.3000000E+00 -0.3000000E+00 0.5000000E+00 0.2272727E-01
1 1.430513 2.993587
2 1.638876 3.142973
3 4.014320 6.041962
4 4.392838 6.428289
5 5.493813 7.827454
6 11.612238 12.369119
7 13.373543 14.245776
8 17.648682 18.158540
9 22.021700 22.571817
10 25.889802 26.198300
11 30.065328 30.848091
0.2500000E+00 -0.2500000E+00 0.5000000E+00 0.2272727E-01
1 1.500593 3.007103
2 2.028813 3.503269
3 3.502641 5.461919
4 4.123408 6.153432
5 5.533044 7.871908
6 10.470970 11.334040
7 13.020479 14.049877
8 18.829886 19.381364
9 22.300923 22.758953
10 27.923233 28.140447
11 32.112959 32.838319
0.2000000E+00 -0.2000000E+00 0.5000000E+00 0.2272727E-01
1 1.411881 2.831011
2 2.505397 3.944789
3 3.040570 4.945787
4 4.050725 6.140540
5 5.574999 7.918657
6 9.366298 10.320896
7 12.777953 13.930329
8 20.136917 20.711527
9 22.593043 22.935367
10 30.172849 30.312336
11 33.811054 34.413337
0.1500000E+00 -0.1500000E+00 0.5000000E+00 0.2272727E-01
1 1.196988 2.535507
2 2.648865 4.459544
3 3.055234 4.515807
4 4.151048 6.324786
5 5.608645 7.957593
6 8.306009 9.338390
7 12.619325 13.861246
8 21.518558 22.103141
9 22.890653 23.099872
10 32.556553 32.641363
11 32.657610 33.156684
0.1000000E+00 -0.1000000E+00 0.5000000E+00 0.2272727E-01
1 0.963142 2.244056
2 2.359039 4.198770
3 3.675673 5.042194
4 4.315683 6.567920
5 5.639021 7.991496
6 7.321350 8.419374
7 12.526399 13.828016
8 22.949704 23.255696
9 23.184090 23.532482
10 30.815406 31.331164
11 33.114948 33.576619
0.5000000E-01 -0.5000000E-01 0.5000000E+00 0.2272727E-01
1 0.793518 2.041074
2 2.178800 4.002738
3 4.319613 5.652669
4 4.455882 6.762231
5 5.656799 7.606904
6 6.459345 8.011827
7 12.480780 13.816090
8 23.413666 23.373857
9 24.295893 24.870986
10 29.216238 29.748885
11 32.337241 32.842251
0.0000000E+00 0.0000000E+00 0.5000000E+00 0.2272727E-01
1 0.731610 1.968830
2 2.117519 3.936421
3 4.506953 6.033703
4 4.707010 6.833221
5 5.662803 7.154753
6 5.995302 8.018729
7 12.461766 13.808402
8 23.502230 23.418425
9 25.008900 25.577782
10 28.413685 28.956199
11 32.032340 32.561466
0.0000000E+00 0.0000000E+00 0.5000000E+00 0.2272727E-01
1 0.731610 1.968830
2 2.117519 3.936421
3 4.506953 6.033703
4 4.707010 6.833221
5 5.662803 7.154753
6 5.995302 8.018729
7 12.461766 13.808402
8 23.502230 23.418425
9 25.008900 25.577782
10 28.413685 28.956199
11 32.032340 32.561467
0.0000000E+00 0.0000000E+00 0.4500000E+00 0.2272727E-01
1 0.728377 1.906613
2 2.140873 3.964090
3 4.486529 5.776456
4 4.701675 6.833570
5 5.588534 7.146178
6 5.593015 7.931827
7 13.058512 14.294480
8 23.623888 23.544533
9 25.182476 25.763235
10 28.436444 28.968676
11 32.029838 32.550778
0.0000000E+00 0.0000000E+00 0.4000000E+00 0.2272727E-01
1 0.688814 1.673669
2 2.209077 4.045010
3 4.388308 5.265496
4 4.682570 6.803942
5 4.767856 7.118477
6 5.377849 7.686632
7 14.517177 15.554126
8 23.984379 23.917072
9 25.690995 26.304021
10 28.505157 29.006307
11 32.002927 32.510029
0.0000000E+00 0.0000000E+00 0.3500000E+00 0.2272727E-01
1 0.521848 1.187313
2 2.316963 4.173155
3 3.790101 4.883256
4 4.446331 6.743768
5 4.661508 7.084448
6 5.064385 7.324452
7 16.427724 17.289140
8 24.572766 24.521528
9 26.503241 27.160968
10 28.625134 29.073189
11 32.009299 32.499139
0.0000000E+00 0.0000000E+00 0.3000000E+00 0.2272727E-01
1 0.107090 0.472041
2 2.454683 4.337692
3 3.260680 4.764371
4 4.367300 6.675528
5 4.629005 6.891523
6 4.683855 7.039156
7 18.573595 19.286650
8 25.363865 25.326843
9 27.569263 28.275877
10 28.787731 29.161097
11 32.073048 32.556819
0.0000000E+00 0.0000000E+00 0.2500000E+00 0.2272727E-01
1 -0.533472 -0.331416
2 2.605597 4.521257
3 3.066637 4.829359
4 4.286390 6.443443
5 4.314360 6.623141
6 4.595747 6.994602
7 20.857327 21.430139
8 26.322264 26.290411
9 28.843858 29.236754
10 28.951887 29.596576
11 32.244404 32.740879
0.0000000E+00 0.0000000E+00 0.2000000E+00 0.2272727E-01
1 -1.233076 -1.094735
2 2.764077 4.712901
3 3.057238 4.958014
4 3.911683 6.024099
5 4.309272 6.623056
6 4.571010 6.960722
7 23.207184 23.627688
8 27.399476 27.351962
9 29.208922 29.374289
10 30.294251 31.085559
11 32.595126 33.129841
0.0000000E+00 0.0000000E+00 0.1500000E+00 0.2272727E-01
1 -1.856721 -1.740468
2 2.907492 4.888710
3 3.094469 5.068251
4 3.588659 5.665223
5 4.355760 6.684425
6 4.553213 6.936483
7 25.532378 25.772085
8 28.492849 28.396116
9 29.478050 29.509831
10 31.873342 32.695598
11 33.173368 33.782079
0.0000000E+00 0.0000000E+00 0.1000000E+00 0.2272727E-01
1 -2.334267 -2.225164
2 3.024795 5.032440
3 3.121108 5.131283
4 3.338512 5.389857
5 4.431774 6.782706
6 4.540526 6.920394
7 27.686070 27.711626
8 29.410019 29.228630
9 29.766332 29.656540
10 33.529114 34.104786
11 33.965008 34.380675
0.0000000E+00 0.0000000E+00 0.5000000E-01 0.2272727E-01
1 -2.631408 -2.524377
2 3.100405 5.125716
3 3.125757 5.152924
4 3.179733 5.216549
5 4.500555 6.871083
6 4.530429 6.909029
7 29.368711 29.191984
8 29.934981 29.683082
9 29.992436 29.766179
10 34.455645 34.559794
11 35.124495 35.348344
0.0000000E+00 0.0000000E+00 0.0000000E+00 0.2272727E-01
1 -2.732045 -2.625422
2 3.126853 5.158328
3 3.126853 5.158328
4 3.127018 5.158683
5 4.528084 6.906241
6 4.528084 6.906241
7 30.082633 29.809220
8 30.082633 29.809225
9 30.082713 29.809225
10 35.040545 34.980879
11 35.040567 34.980881
0.0000000E+00 0.0000000E+00 0.0000000E+00 0.2272727E-01
1 -2.732045 -2.625422
2 3.126853 5.158328
3 3.126853 5.158328
4 3.127018 5.158683
5 4.528084 6.906241
6 4.528084 6.906241
7 30.082633 29.809220
8 30.082633 29.809225
9 30.082713 29.809225
10 35.040545 34.980881
11 35.040548 34.980898
0.2500000E-01 0.2500000E-01 0.2500000E-01 0.2272727E-01
1 -2.581401 -2.474111
2 3.099106 5.122087
3 3.099106 5.122087
4 3.219307 5.259656
5 4.510008 6.883033
6 4.510008 6.883033
7 29.308477 29.152666
8 29.308477 29.152666
9 30.219061 29.945764
10 34.322241 34.990316
11 34.870590 35.165440
0.5000000E-01 0.5000000E-01 0.5000000E-01 0.2272727E-01
1 -2.140143 -2.028952
2 3.013525 5.008390
3 3.013525 5.008390
4 3.497200 5.559980
5 4.475605 6.838029
6 4.475605 6.838029
7 27.503323 27.554138
8 27.503323 27.554138
9 30.628248 30.355689
10 31.453731 32.294022
11 35.226637 35.454751
0.7500000E-01 0.7500000E-01 0.7500000E-01 0.2272727E-01
1 -1.441781 -1.316731
2 2.856121 4.803851
3 2.856121 4.803851
4 3.945544 6.038430
5 4.455134 6.812423
6 4.455134 6.812423
7 25.352085 25.573375
8 25.352085 25.573375
9 28.535517 29.347703
10 31.309873 31.038325
11 36.204183 36.450779
0.1000000E+00 0.1000000E+00 0.1000000E+00 0.2272727E-01
1 -0.548082 -0.384017
2 2.652908 4.535891
3 2.652908 4.535891
4 4.471218 6.679647
5 4.471218 6.834273
6 4.569982 6.834273
7 23.223712 23.572322
8 23.223712 23.572322
9 25.735885 26.512673
10 32.265634 31.995695
11 37.183775 37.433113
0.1250000E+00 0.1250000E+00 0.1250000E+00 0.2272727E-01
1 0.439545 0.696850
2 2.440178 4.249650
3 2.440178 4.249650
4 4.520788 6.898402
5 4.520788 6.898402
6 5.386832 7.464692
7 21.212439 21.668616
8 21.212439 21.668616
9 23.144684 23.881066
10 33.492044 33.224092
11 37.870365 38.124339
0.1500000E+00 0.1500000E+00 0.1500000E+00 0.2272727E-01
1 1.369601 1.814627
2 2.264433 3.997661
3 2.264433 3.997661
4 4.586498 6.983731
5 4.586498 6.983731
6 6.447940 8.395271
7 19.364482 19.916666
8 19.364482 19.916666
9 20.842595 21.539095
10 34.990549 34.725187
11 38.705119 38.914420
0.1750000E+00 0.1750000E+00 0.1750000E+00 0.2272727E-01
1 2.068717 2.807963
2 2.152609 3.812254
3 2.152609 3.812254
4 4.647387 7.065903
5 4.647387 7.065903
6 7.828690 9.520028
7 17.684341 18.326784
8 17.684341 18.326784
9 18.906454 19.573224
10 36.760811 36.498780
11 39.732653 39.884749
0.2000000E+00 0.2000000E+00 0.2000000E+00 0.2272727E-01
1 2.124286 3.496239
2 2.124286 3.713636
3 2.428990 3.713636
4 4.698732 7.136100
5 4.698733 7.136101
6 9.573165 10.938285
7 16.196305 16.922070
8 16.196305 16.922070
9 17.391373 18.052041
10 38.802356 38.544412
11 40.989991 41.077654
0.2250000E+00 0.2250000E+00 0.2250000E+00 0.2272727E-01
1 2.173388 3.698176
2 2.173388 3.698176
3 2.463662 3.786224
4 4.732098 7.183632
5 4.732098 7.183632
6 11.636280 12.706364
7 14.899972 15.702429
8 14.899972 15.702429
9 16.324436 17.007979
10 41.119820 40.861926
11 42.447152 42.460361
0.2500000E+00 0.2500000E+00 0.2500000E+00 0.2272727E-01
1 2.284981 3.751288
2 2.284981 3.751288
3 2.285066 3.751462
4 4.756459 7.212501
5 4.756459 7.212501
6 13.831658 14.700157
7 13.831658 14.700157
8 13.831726 14.700423
9 15.814436 16.525698
10 43.708586 43.452511
11 43.922695 43.453253
and KPOINTS
Fe BCC
11
Line -mode
cartesian
0.0 0.0 0.0 !G
0.0 1.0 0.0 !H
0.0 1.0 0.0 !H
0.5 0.5 0.0 !N
0.5 0.5 0.0 !N
0.0 0.0 0.0 !G
0.0 0.0 0.0 !G
0.5 0.5 0.5 !P
and thank u in advance.....
pls tell me if i use BS4 vasp or P4vasp for bandsturcture , not showing the symmetry points in bs plot, how to define the symmetry points in this pot after making .EPS file. i am confused pls guide me.
i m sending the EIGENVAl and KPOINTS
1 1 1 2
0.1181995E+02 0.2485493E-09 0.2485493E-09 0.2485493E-09 0.5000000E-15
1.000000000000000E-004
CAR
Fe
8 44 11
0.0000000E+00 0.0000000E+00 0.0000000E+00 0.2272727E-01
1 -2.732045 -2.625422
2 3.126853 5.158328
3 3.126853 5.158328
4 3.127018 5.158683
5 4.528084 6.906241
6 4.528084 6.906241
7 30.082633 29.809220
8 30.082633 29.809225
9 30.082713 29.809225
10 35.040545 34.980879
11 35.040557 34.980879
0.5000000E-01 -0.5000000E-01 0.5000000E-01 0.2272727E-01
1 -2.531411 -2.423902
2 3.126467 5.149987
3 3.126576 5.150222
4 3.180506 5.218226
5 4.440417 6.794585
6 4.563098 6.949920
7 28.868910 28.691308
8 29.834505 29.676595
9 29.834539 29.676658
10 33.249697 33.455488
11 34.903247 35.698784
0.1000000E+00 -0.1000000E+00 0.1000000E+00 0.2272727E-01
1 -1.947071 -1.834135
2 3.143166 5.144630
3 3.143256 5.144835
4 3.338469 5.393851
5 4.188334 6.472469
6 4.663159 7.069393
7 26.936578 26.888410
8 28.692128 28.895754
9 28.692138 28.895912
10 30.713977 30.982203
11 34.224711 34.728953
0.1500000E+00 -0.1500000E+00 0.1500000E+00 0.2272727E-01
1 -1.040711 -0.904994
2 3.194157 5.171753
3 3.194245 5.171948
4 3.591275 5.674250
5 3.787150 5.965829
6 4.826535 7.236833
7 25.203505 25.295081
8 26.629534 27.127988
9 26.629536 27.128170
10 28.340828 28.607131
11 34.981258 35.273465
0.2000000E+00 -0.2000000E+00 0.2000000E+00 0.2272727E-01
1 0.044191 0.262395
2 3.278986 5.283911
3 3.322506 5.284113
4 3.322596 5.330359
5 3.900768 6.022242
6 5.109161 7.446252
7 23.807393 24.047737
8 24.307809 24.925728
9 24.307814 24.925892
10 26.362837 26.630531
11 36.541243 36.789770
0.2500000E+00 -0.2500000E+00 0.2500000E+00 0.2272727E-01
1 1.006690 1.469203
2 2.717645 4.636768
3 3.558114 5.521305
4 3.558213 5.521520
5 4.248808 6.414661
6 5.726545 7.789981
7 22.022403 22.669805
8 22.022415 22.669939
9 22.748108 23.134709
10 24.882829 25.186532
11 38.733818 38.858424
0.3000000E+00 -0.3000000E+00 0.3000000E+00 0.2272727E-01
1 1.480699 2.382238
2 2.161165 3.958380
3 3.916897 5.907330
4 3.916998 5.907548
5 4.603817 6.815444
6 7.020741 8.566006
7 19.905780 20.528146
8 19.905809 20.528225
9 21.981623 22.499628
10 23.894094 24.273101
11 36.261053 36.841052
0.3500000E+00 -0.3500000E+00 0.3500000E+00 0.2272727E-01
1 1.470338 2.752402
2 1.663147 3.359995
3 4.367159 6.420770
4 4.367278 6.421023
5 4.924939 7.179983
6 8.996991 10.039472
7 18.022096 18.577233
8 18.022144 18.577278
9 21.440554 22.068529
10 23.286734 23.757754
11 32.120241 32.773145
0.4000000E+00 -0.4000000E+00 0.4000000E+00 0.2272727E-01
1 1.241986 2.716613
2 1.273684 2.896704
3 4.849689 7.003368
4 4.849832 7.003664
5 5.182341 7.472931
6 11.371736 12.071201
7 16.489601 16.939050
8 16.489667 16.939052
9 21.095812 21.803101
10 22.732040 23.284735
11 28.489435 29.257521
0.4500000E+00 -0.4500000E+00 0.4500000E+00 0.2272727E-01
1 1.026063 2.572229
2 1.026304 2.604510
3 5.247596 7.513967
4 5.247755 7.514302
5 5.348744 7.662665
6 13.775343 14.217363
7 15.455937 15.787901
8 15.456022 15.787943
9 20.905492 21.660612
10 21.756712 22.401777
11 26.080202 26.970471
0.5000000E+00 -0.5000000E+00 0.5000000E+00 0.2272727E-01
1 0.941543 2.504774
2 0.941543 2.504774
3 5.406189 7.728146
4 5.406189 7.728146
5 5.406439 7.728678
6 15.084004 15.358652
7 15.084144 15.358746
8 15.084144 15.358746
9 20.844626 21.615723
10 20.844626 21.615723
11 25.372473 26.297106
0.5000000E+00 -0.5000000E+00 0.5000000E+00 0.2272727E-01
1 0.941543 2.504774
2 0.941543 2.504774
3 5.406189 7.728146
4 5.406189 7.728146
5 5.406439 7.728678
6 15.084004 15.358652
7 15.084144 15.358746
8 15.084144 15.358746
9 20.844626 21.615723
10 20.844626 21.615723
11 25.372473 26.297106
0.4500000E+00 -0.4500000E+00 0.5000000E+00 0.2272727E-01
1 0.983825 2.544379
2 0.985064 2.550559
3 5.290483 7.578531
4 5.324082 7.615829
5 5.412518 7.735472
6 14.715919 15.064073
7 14.873757 15.214710
8 15.271502 15.576010
9 21.011267 21.753369
10 21.308804 22.007519
11 25.693142 26.605247
0.4000000E+00 -0.4000000E+00 0.5000000E+00 0.2272727E-01
1 1.102314 2.663450
2 1.115690 2.677235
3 4.973069 7.179596
4 5.091000 7.302034
5 5.430413 7.755718
6 13.837877 14.330364
7 14.383072 14.882265
8 15.805353 16.179597
9 21.363755 22.048698
10 22.476805 23.034707
11 26.649918 27.526777
0.3500000E+00 -0.3500000E+00 0.5000000E+00 0.2272727E-01
1 1.269376 2.848838
2 1.333583 2.862686
3 4.523053 6.635693
4 4.751722 6.862262
5 5.458384 7.787367
6 12.753861 13.387544
7 13.839641 14.528394
8 16.620439 17.069808
9 21.712410 22.336072
10 24.050108 24.472994
11 28.164135 28.994606
0.3000000E+00 -0.3000000E+00 0.5000000E+00 0.2272727E-01
1 1.430513 2.993587
2 1.638876 3.142973
3 4.014320 6.041962
4 4.392838 6.428289
5 5.493813 7.827454
6 11.612238 12.369119
7 13.373543 14.245776
8 17.648682 18.158540
9 22.021700 22.571817
10 25.889802 26.198300
11 30.065328 30.848091
0.2500000E+00 -0.2500000E+00 0.5000000E+00 0.2272727E-01
1 1.500593 3.007103
2 2.028813 3.503269
3 3.502641 5.461919
4 4.123408 6.153432
5 5.533044 7.871908
6 10.470970 11.334040
7 13.020479 14.049877
8 18.829886 19.381364
9 22.300923 22.758953
10 27.923233 28.140447
11 32.112959 32.838319
0.2000000E+00 -0.2000000E+00 0.5000000E+00 0.2272727E-01
1 1.411881 2.831011
2 2.505397 3.944789
3 3.040570 4.945787
4 4.050725 6.140540
5 5.574999 7.918657
6 9.366298 10.320896
7 12.777953 13.930329
8 20.136917 20.711527
9 22.593043 22.935367
10 30.172849 30.312336
11 33.811054 34.413337
0.1500000E+00 -0.1500000E+00 0.5000000E+00 0.2272727E-01
1 1.196988 2.535507
2 2.648865 4.459544
3 3.055234 4.515807
4 4.151048 6.324786
5 5.608645 7.957593
6 8.306009 9.338390
7 12.619325 13.861246
8 21.518558 22.103141
9 22.890653 23.099872
10 32.556553 32.641363
11 32.657610 33.156684
0.1000000E+00 -0.1000000E+00 0.5000000E+00 0.2272727E-01
1 0.963142 2.244056
2 2.359039 4.198770
3 3.675673 5.042194
4 4.315683 6.567920
5 5.639021 7.991496
6 7.321350 8.419374
7 12.526399 13.828016
8 22.949704 23.255696
9 23.184090 23.532482
10 30.815406 31.331164
11 33.114948 33.576619
0.5000000E-01 -0.5000000E-01 0.5000000E+00 0.2272727E-01
1 0.793518 2.041074
2 2.178800 4.002738
3 4.319613 5.652669
4 4.455882 6.762231
5 5.656799 7.606904
6 6.459345 8.011827
7 12.480780 13.816090
8 23.413666 23.373857
9 24.295893 24.870986
10 29.216238 29.748885
11 32.337241 32.842251
0.0000000E+00 0.0000000E+00 0.5000000E+00 0.2272727E-01
1 0.731610 1.968830
2 2.117519 3.936421
3 4.506953 6.033703
4 4.707010 6.833221
5 5.662803 7.154753
6 5.995302 8.018729
7 12.461766 13.808402
8 23.502230 23.418425
9 25.008900 25.577782
10 28.413685 28.956199
11 32.032340 32.561466
0.0000000E+00 0.0000000E+00 0.5000000E+00 0.2272727E-01
1 0.731610 1.968830
2 2.117519 3.936421
3 4.506953 6.033703
4 4.707010 6.833221
5 5.662803 7.154753
6 5.995302 8.018729
7 12.461766 13.808402
8 23.502230 23.418425
9 25.008900 25.577782
10 28.413685 28.956199
11 32.032340 32.561467
0.0000000E+00 0.0000000E+00 0.4500000E+00 0.2272727E-01
1 0.728377 1.906613
2 2.140873 3.964090
3 4.486529 5.776456
4 4.701675 6.833570
5 5.588534 7.146178
6 5.593015 7.931827
7 13.058512 14.294480
8 23.623888 23.544533
9 25.182476 25.763235
10 28.436444 28.968676
11 32.029838 32.550778
0.0000000E+00 0.0000000E+00 0.4000000E+00 0.2272727E-01
1 0.688814 1.673669
2 2.209077 4.045010
3 4.388308 5.265496
4 4.682570 6.803942
5 4.767856 7.118477
6 5.377849 7.686632
7 14.517177 15.554126
8 23.984379 23.917072
9 25.690995 26.304021
10 28.505157 29.006307
11 32.002927 32.510029
0.0000000E+00 0.0000000E+00 0.3500000E+00 0.2272727E-01
1 0.521848 1.187313
2 2.316963 4.173155
3 3.790101 4.883256
4 4.446331 6.743768
5 4.661508 7.084448
6 5.064385 7.324452
7 16.427724 17.289140
8 24.572766 24.521528
9 26.503241 27.160968
10 28.625134 29.073189
11 32.009299 32.499139
0.0000000E+00 0.0000000E+00 0.3000000E+00 0.2272727E-01
1 0.107090 0.472041
2 2.454683 4.337692
3 3.260680 4.764371
4 4.367300 6.675528
5 4.629005 6.891523
6 4.683855 7.039156
7 18.573595 19.286650
8 25.363865 25.326843
9 27.569263 28.275877
10 28.787731 29.161097
11 32.073048 32.556819
0.0000000E+00 0.0000000E+00 0.2500000E+00 0.2272727E-01
1 -0.533472 -0.331416
2 2.605597 4.521257
3 3.066637 4.829359
4 4.286390 6.443443
5 4.314360 6.623141
6 4.595747 6.994602
7 20.857327 21.430139
8 26.322264 26.290411
9 28.843858 29.236754
10 28.951887 29.596576
11 32.244404 32.740879
0.0000000E+00 0.0000000E+00 0.2000000E+00 0.2272727E-01
1 -1.233076 -1.094735
2 2.764077 4.712901
3 3.057238 4.958014
4 3.911683 6.024099
5 4.309272 6.623056
6 4.571010 6.960722
7 23.207184 23.627688
8 27.399476 27.351962
9 29.208922 29.374289
10 30.294251 31.085559
11 32.595126 33.129841
0.0000000E+00 0.0000000E+00 0.1500000E+00 0.2272727E-01
1 -1.856721 -1.740468
2 2.907492 4.888710
3 3.094469 5.068251
4 3.588659 5.665223
5 4.355760 6.684425
6 4.553213 6.936483
7 25.532378 25.772085
8 28.492849 28.396116
9 29.478050 29.509831
10 31.873342 32.695598
11 33.173368 33.782079
0.0000000E+00 0.0000000E+00 0.1000000E+00 0.2272727E-01
1 -2.334267 -2.225164
2 3.024795 5.032440
3 3.121108 5.131283
4 3.338512 5.389857
5 4.431774 6.782706
6 4.540526 6.920394
7 27.686070 27.711626
8 29.410019 29.228630
9 29.766332 29.656540
10 33.529114 34.104786
11 33.965008 34.380675
0.0000000E+00 0.0000000E+00 0.5000000E-01 0.2272727E-01
1 -2.631408 -2.524377
2 3.100405 5.125716
3 3.125757 5.152924
4 3.179733 5.216549
5 4.500555 6.871083
6 4.530429 6.909029
7 29.368711 29.191984
8 29.934981 29.683082
9 29.992436 29.766179
10 34.455645 34.559794
11 35.124495 35.348344
0.0000000E+00 0.0000000E+00 0.0000000E+00 0.2272727E-01
1 -2.732045 -2.625422
2 3.126853 5.158328
3 3.126853 5.158328
4 3.127018 5.158683
5 4.528084 6.906241
6 4.528084 6.906241
7 30.082633 29.809220
8 30.082633 29.809225
9 30.082713 29.809225
10 35.040545 34.980879
11 35.040567 34.980881
0.0000000E+00 0.0000000E+00 0.0000000E+00 0.2272727E-01
1 -2.732045 -2.625422
2 3.126853 5.158328
3 3.126853 5.158328
4 3.127018 5.158683
5 4.528084 6.906241
6 4.528084 6.906241
7 30.082633 29.809220
8 30.082633 29.809225
9 30.082713 29.809225
10 35.040545 34.980881
11 35.040548 34.980898
0.2500000E-01 0.2500000E-01 0.2500000E-01 0.2272727E-01
1 -2.581401 -2.474111
2 3.099106 5.122087
3 3.099106 5.122087
4 3.219307 5.259656
5 4.510008 6.883033
6 4.510008 6.883033
7 29.308477 29.152666
8 29.308477 29.152666
9 30.219061 29.945764
10 34.322241 34.990316
11 34.870590 35.165440
0.5000000E-01 0.5000000E-01 0.5000000E-01 0.2272727E-01
1 -2.140143 -2.028952
2 3.013525 5.008390
3 3.013525 5.008390
4 3.497200 5.559980
5 4.475605 6.838029
6 4.475605 6.838029
7 27.503323 27.554138
8 27.503323 27.554138
9 30.628248 30.355689
10 31.453731 32.294022
11 35.226637 35.454751
0.7500000E-01 0.7500000E-01 0.7500000E-01 0.2272727E-01
1 -1.441781 -1.316731
2 2.856121 4.803851
3 2.856121 4.803851
4 3.945544 6.038430
5 4.455134 6.812423
6 4.455134 6.812423
7 25.352085 25.573375
8 25.352085 25.573375
9 28.535517 29.347703
10 31.309873 31.038325
11 36.204183 36.450779
0.1000000E+00 0.1000000E+00 0.1000000E+00 0.2272727E-01
1 -0.548082 -0.384017
2 2.652908 4.535891
3 2.652908 4.535891
4 4.471218 6.679647
5 4.471218 6.834273
6 4.569982 6.834273
7 23.223712 23.572322
8 23.223712 23.572322
9 25.735885 26.512673
10 32.265634 31.995695
11 37.183775 37.433113
0.1250000E+00 0.1250000E+00 0.1250000E+00 0.2272727E-01
1 0.439545 0.696850
2 2.440178 4.249650
3 2.440178 4.249650
4 4.520788 6.898402
5 4.520788 6.898402
6 5.386832 7.464692
7 21.212439 21.668616
8 21.212439 21.668616
9 23.144684 23.881066
10 33.492044 33.224092
11 37.870365 38.124339
0.1500000E+00 0.1500000E+00 0.1500000E+00 0.2272727E-01
1 1.369601 1.814627
2 2.264433 3.997661
3 2.264433 3.997661
4 4.586498 6.983731
5 4.586498 6.983731
6 6.447940 8.395271
7 19.364482 19.916666
8 19.364482 19.916666
9 20.842595 21.539095
10 34.990549 34.725187
11 38.705119 38.914420
0.1750000E+00 0.1750000E+00 0.1750000E+00 0.2272727E-01
1 2.068717 2.807963
2 2.152609 3.812254
3 2.152609 3.812254
4 4.647387 7.065903
5 4.647387 7.065903
6 7.828690 9.520028
7 17.684341 18.326784
8 17.684341 18.326784
9 18.906454 19.573224
10 36.760811 36.498780
11 39.732653 39.884749
0.2000000E+00 0.2000000E+00 0.2000000E+00 0.2272727E-01
1 2.124286 3.496239
2 2.124286 3.713636
3 2.428990 3.713636
4 4.698732 7.136100
5 4.698733 7.136101
6 9.573165 10.938285
7 16.196305 16.922070
8 16.196305 16.922070
9 17.391373 18.052041
10 38.802356 38.544412
11 40.989991 41.077654
0.2250000E+00 0.2250000E+00 0.2250000E+00 0.2272727E-01
1 2.173388 3.698176
2 2.173388 3.698176
3 2.463662 3.786224
4 4.732098 7.183632
5 4.732098 7.183632
6 11.636280 12.706364
7 14.899972 15.702429
8 14.899972 15.702429
9 16.324436 17.007979
10 41.119820 40.861926
11 42.447152 42.460361
0.2500000E+00 0.2500000E+00 0.2500000E+00 0.2272727E-01
1 2.284981 3.751288
2 2.284981 3.751288
3 2.285066 3.751462
4 4.756459 7.212501
5 4.756459 7.212501
6 13.831658 14.700157
7 13.831658 14.700157
8 13.831726 14.700423
9 15.814436 16.525698
10 43.708586 43.452511
11 43.922695 43.453253
and KPOINTS
Fe BCC
11
Line -mode
cartesian
0.0 0.0 0.0 !G
0.0 1.0 0.0 !H
0.0 1.0 0.0 !H
0.5 0.5 0.0 !N
0.5 0.5 0.0 !N
0.0 0.0 0.0 !G
0.0 0.0 0.0 !G
0.5 0.5 0.5 !P
and thank u in advance.....