1     # ionic step
 Electronic state energy (eV) and occupations
 Spin number 4
 spin=1 k-point=1/8 Cartesian=0.0000000 0.0000000 0.0000000 (15967 plane wave)
 1 -89.85697118062050 0.1250000000000000
 2 -89.85689747266498 0.1250000000000000
 3 -88.84552252758141 0.1250000000000000
 4 -88.84548307064289 0.1250000000000000
 5 -56.67420656035332 0.1250000000000000
 6 -56.67417002691832 0.1250000000000000
 7 -56.39006200490129 0.1250000000000000
 8 -56.39002736212347 0.1250000000000000
 9 -55.38184810542349 0.1250000000000000
 10 -55.38182301005645 0.1250000000000000
 11 -54.87469975906900 0.1250000000000000
 12 -54.87468182954019 0.1250000000000000
 13 -54.59056474830997 0.1250000000000000
 14 -54.59054170684043 0.1250000000000000
 15 -54.36878465872071 0.1250000000000000
 16 -54.36875643985621 0.1250000000000000
 17 -1.761903957123226 0.1250000000000000
 18 -1.636158042230808 0.1250000000000000
 19 -0.2035415007560891 0.1249999999721759
 20 -0.1935498126268521 0.1249999999567928
 21 -0.1131749362902753 0.1249999987435028
 22 -0.1115021931990227 0.1249999986565323
 23 -0.07437587059286720 0.1249999942623631
 24 -0.06791680448676843 0.1249999926620595
 25 -0.04778328163641806 0.1249999843975462
 26 -0.01661132187828811 0.1249999516631010
 27 -0.006628883312608354 0.1249999312298599
 28 0.004061386342664871 0.1249999001948815
 29 0.6309662322124511 0.08441115780573938
 30 0.6406050314841218 0.08136353613543408
 31 0.7257998012416490 0.05246622738478072
 32 0.7292757614916426 0.05129245241600419
 33 0.7546063948709021 0.04297103098628002
 34 0.7589898278159426 0.04158269764438689
 35 0.7892647989203843 0.03253970521580930
 36 0.8105753196539520 0.02684409708057150
 37 0.8199593355429952 0.02453220714312814
 38 0.8339148216456213 0.02132586847110435
 39 1.743089078718235 2.568396348898714e-14
 40 1.927174350436299 0.000000000000000
 41 13.15176780451869 0.000000000000000
 42 13.33414169742203 0.000000000000000
 43 15.51620270167653 0.000000000000000
 44 15.51642421773109 0.000000000000000
 45 15.51664713052038 0.000000000000000
 46 15.58672156100162 0.000000000000000
 47 15.58694695058682 0.000000000000000
 48 15.58717097014452 0.000000000000000
 49 20.73461120496358 0.000000000000000
 50 20.73461120496358 0.000000000000000
 51 20.73461120496358 0.000000000000000
 52 20.86675727690044 0.000000000000000

 spin=1 k-point=2/8 Cartesian=0.09615384615384615 0.000000000000000 0.000000000000000 (16024 plane wave)
 1 -89.85700629987264 0.1250000000000000
 2 -89.85700629987242 0.1250000000000000
 3 -88.84555526726525 0.1250000000000000
 4 -88.84555526726506 0.1250000000000000
 5 -56.67419681820691 0.1250000000000000
 6 -56.67419225873430 0.1250000000000000
 7 -56.39005612898731 0.1250000000000000
 8 -56.39004876711791 0.1250000000000000
 9 -55.38184211740339 0.1250000000000000
 10 -55.38183594895983 0.1250000000000000
 11 -54.87469497126869 0.1250000000000000
 12 -54.87469474269324 0.1250000000000000
 13 -54.59056304211427 0.1250000000000000
 14 -54.59055403834108 0.1250000000000000
 15 -54.36877595404935 0.1250000000000000
 16 -54.36877054488576 0.1250000000000000
 17 -0.2331463891712716 0.1249999999926524
 18 -0.2249337060114680 0.1249999999893253
 19 -0.1486877814843350 0.1249999997057742
 20 -0.1310805045895874 0.1249999993911991
 21 -0.1132941255028094 0.1249999987494867
 22 -0.1021325225713393 0.1249999980502196
 23 -0.06252081943605577 0.1249999910012253
 24 -0.05577843160913369 0.1249999884102363
 25 -0.03826011372640960 0.1249999778536269
 26 -0.01831803694076199 0.1249999545118414
 27 0.1393834668455223 0.1249929421621694
 28 0.1399474579112612 0.1249928284003079
 29 0.1481365696039538 0.1249909689665474
 30 0.1544351177862325 0.1249892392893027
 31 0.6758582624659345 0.06963085132181662
 32 0.6890224538264711 0.06510512920286698
 33 0.7182323580110218 0.05504058955268003
 34 0.7288151221516989 0.05144764944014431
 35 0.7403647118918668 0.04759370775278361
 36 0.7708692020541059 0.03791419965643633
 37 0.7900376483786937 0.03232280172675522
 38 0.8017438308588883 0.02913121763051409
 39 0.8217041993461587 0.02411604094933130
 40 0.8405616266628043 0.01989765378299246
 41 14.11554967177430 0.000000000000000
 42 14.11554968286920 0.000000000000000
 43 14.28685813340156 0.000000000000000
 44 14.28685814529190 0.000000000000000
 45 21.14681335307101 0.000000000000000
 46 21.14714876178559 0.000000000000000
 47 21.14723797270874 0.000000000000000
 48 21.14757638492363 0.000000000000000
 49 21.24260909505000 0.000000000000000
 50 21.24294396357636 0.000000000000000
 51 21.24304989256557 0.000000000000000
 52 21.24338175928681 0.000000000000000

 spin=1 k-point=3/8 Cartesian=0.000000000000000 0.09615384615384615 0.000000000000000 (16024 plane wave)
 1 -89.85700629987258 0.1250000000000000
 2 -89.85700629987235 0.1250000000000000
 3 -88.84555526726520 0.1250000000000000
 4 -88.84555526726504 0.1250000000000000
 5 -56.67419681820666 0.1250000000000000
 6 -56.67419225873455 0.1250000000000000
 7 -56.39005612898750 0.1250000000000000
 8 -56.39004876711775 0.1250000000000000
 9 -55.38184211740314 0.1250000000000000
 10 -55.38183594896012 0.1250000000000000
 11 -54.87469497126845 0.1250000000000000
 12 -54.87469474269350 0.1250000000000000
 13 -54.59056304211443 0.1250000000000000
 14 -54.59055403834099 0.1250000000000000
 15 -54.36877595404898 0.1250000000000000
 16 -54.36877054488608 0.1250000000000000
 17 -0.2331463891714411 0.1249999999926524
 18 -0.2249337060113541 0.1249999999893253
 19 -0.1486877814842744 0.1249999997057742
 20 -0.1310805045896059 0.1249999993911991
 21 -0.1132941255028960 0.1249999987494867
 22 -0.1021325225712852 0.1249999980502196
 23 -0.06252081943619822 0.1249999910012253
 24 -0.05577843160925965 0.1249999884102363
 25 -0.03826011372628300 0.1249999778536269
 26 -0.01831803694067171 0.1249999545118414
 27 0.1393834668454344 0.1249929421621694
 28 0.1399474579112812 0.1249928284003079
 29 0.1481365696040773 0.1249909689665473
 30 0.1544351177861194 0.1249892392893027
 31 0.6758582624660411 0.06963085132178017
 32 0.6890224538265306 0.06510512920284646
 33 0.7182323580109518 0.05504058955270397
 34 0.7288151221517196 0.05144764944013731
 35 0.7403647118916423 0.04759370775285766
 36 0.7708692020539898 0.03791419965647148
 37 0.7900376483787871 0.03232280172672906
 38 0.8017438308589770 0.02913121763049058
 39 0.8217041993463827 0.02411604094927812
 40 0.8405616266625512 0.01989765378304564
 41 14.11554967177436 0.000000000000000
 42 14.11554968286918 0.000000000000000
 43 14.28685813340156 0.000000000000000
 44 14.28685814529198 0.000000000000000
 45 21.14681335307101 0.000000000000000
 46 21.14714876178559 0.000000000000000
 47 21.14723797270872 0.000000000000000
 48 21.14757638492367 0.000000000000000
 49 21.24260909505000 0.000000000000000
 50 21.24294396357636 0.000000000000000
 51 21.24304989256562 0.000000000000000
 52 21.24338175928684 0.000000000000000

 spin=1 k-point=4/8 Cartesian=0.09615384615384615 0.09615384615384615 0.000000000000000 (16060 plane wave)
 1 -89.85699074877245 0.1250000000000000
 2 -89.85699074877220 0.1250000000000000
 3 -88.84554307015358 0.1250000000000000
 4 -88.84554307015338 0.1250000000000000
 5 -56.67420483583544 0.1250000000000000
 6 -56.67418898194161 0.1250000000000000
 7 -56.39006985636765 0.1250000000000000
 8 -56.39004208447881 0.1250000000000000
 9 -55.38185677341049 0.1250000000000000
 10 -55.38182568306916 0.1250000000000000
 11 -54.87469779986586 0.1250000000000000
 12 -54.87469753304986 0.1250000000000000
 13 -54.59058893045867 0.1250000000000000
 14 -54.59053580755706 0.1250000000000000
 15 -54.36879247141315 0.1250000000000000
 16 -54.36875825391683 0.1250000000000000
 17 -0.3229103459539781 0.1249999999998992
 18 -0.3213569845492530 0.1249999999998911
 19 -0.1422670042291899 0.1249999996157886
 20 -0.1256077476988796 0.1249999992390634
 21 -0.08284784316339165 0.1249999958569946
 22 -0.07710604715607608 0.1249999948320468
 23 -0.06990710457966078 0.1249999931963477
 24 -0.05015167548731835 0.1249999857084606
 25 -0.02045237843121492 0.1249999578472873
 26 -0.01057246955051319 0.1249999401383093
 27 0.2709912533235105 0.1248007594213343
 28 0.2750680509424013 0.1247817690772579
 29 0.6568324491647067 0.07605837202840446
 30 0.6813220682246611 0.06775747993617044
 31 0.7309387504537967 0.05073310884152959
 32 0.7434100783843658 0.04659200995236275
 33 0.7516456898102336 0.04391847551313439
 34 0.7609264634128039 0.04097503157780373
 35 0.8006084582850000 0.02943290167340879
 36 0.8135417108375453 0.02609993992136779
 37 0.8793937853598665 0.01282406707576249
 38 0.8826950484881447 0.01232016159915495
 39 1.133370948300992 0.0001544450020712391
 40 1.133647207930373 0.0001534697630731127
 41 15.30905561028542 0.000000000000000
 42 15.30905563910343 0.000000000000000
 43 15.37486689879638 0.000000000000000
 44 15.37486692801811 0.000000000000000
 45 18.35716158957104 0.000000000000000
 46 18.35716162400345 0.000000000000000
 47 18.51247563953725 0.000000000000000
 48 18.51247563975472 0.000000000000000
 49 18.57109764264858 0.000000000000000
 50 18.57109767573072 0.000000000000000
 51 18.59712411493086 0.000000000000000
 52 18.59712411507615 0.000000000000000

 spin=1 k-point=5/8 Cartesian=0.000000000000000 0.000000000000000 0.09615384615384615 (16024 plane wave)
 1 -89.85700629987261 0.1250000000000000
 2 -89.85700629987242 0.1250000000000000
 3 -88.84555526726520 0.1250000000000000
 4 -88.84555526726507 0.1250000000000000
 5 -56.67419681820699 0.1250000000000000
 6 -56.67419681820673 0.1250000000000000
 7 -56.39004876711782 0.1250000000000000
 8 -56.39004876711763 0.1250000000000000
 9 -55.38184211740344 0.1250000000000000
 10 -55.38184211740310 0.1250000000000000
 11 -54.87469497126877 0.1250000000000000
 12 -54.87469497126858 0.1250000000000000
 13 -54.59055403834099 0.1250000000000000
 14 -54.59055403834085 0.1250000000000000
 15 -54.36877595404935 0.1250000000000000
 16 -54.36877595404901 0.1250000000000000
 17 -0.2331464164170172 0.1249999999926524
 18 -0.2331464164169502 0.1249999999926524
 19 -0.1310804870481175 0.1249999993911987
 20 -0.1310804870478499 0.1249999993911987
 21 -0.1021324644749641 0.1249999980502151
 22 -0.1021324644748972 0.1249999980502151
 23 -0.06252079020404037 0.1249999910012154
 24 -0.06252079020383966 0.1249999910012154
 25 -0.03826015339471132 0.1249999778536591
 26 -0.03826015339464442 0.1249999778536591
 27 0.1393827938618753 0.1249929422968935
 28 0.1393827938618753 0.1249929422968935
 29 0.1544357568670331 0.1249892390989608
 30 0.1544357568670331 0.1249892390989608
 31 0.6890224799624725 0.06510512018364695
 32 0.6890224799627864 0.06510512018353859
 33 0.7288149735255072 0.05144769953272356
 34 0.7288149735256640 0.05144769953267067
 35 0.7403648476676641 0.04759366294621125
 36 0.7403648476678211 0.04759366294615947
 37 0.7900376157072674 0.03232281088028006
 38 0.7900376157072674 0.03232281088028006
 39 0.8405616420073068 0.01989765055991663
 40 0.8405616420073854 0.01989765055990013
 41 14.11554967023014 0.000000000000000
 42 14.11554967023014 0.000000000000000
 43 14.28685814692270 0.000000000000000
 44 14.28685814692270 0.000000000000000
 45 21.14719332660862 0.000000000000000
 46 21.14719332660870 0.000000000000000
 47 21.14719335779828 0.000000000000000
 48 21.14719335779828 0.000000000000000
 49 21.24299693879928 0.000000000000000
 50 21.24299693879928 0.000000000000000
 51 21.24299696869829 0.000000000000000
 52 21.24299696869829 0.000000000000000

 spin=1 k-point=6/8 Cartesian=0.09615384615384615 0.000000000000000 0.09615384615384615 (16060 plane wave)
 1 -89.85699074877247 0.1250000000000000
 2 -89.85699074877223 0.1250000000000000
 3 -88.84554307015358 0.1250000000000000
 4 -88.84554307015334 0.1250000000000000
 5 -56.67420409829286 0.1250000000000000
 6 -56.67419329471890 0.1250000000000000
 7 -56.39005849288209 0.1250000000000000
 8 -56.39004761388126 0.1250000000000000
 9 -55.38185953974197 0.1250000000000000
 10 -55.38182803278139 0.1250000000000000
 11 -54.87471940386680 0.1250000000000000
 12 -54.87467604513338 0.1250000000000000
 13 -54.59056969144928 0.1250000000000000
 14 -54.59054741292999 0.1250000000000000
 15 -54.36879495896814 0.1250000000000000
 16 -54.36876042674800 0.1250000000000000
 17 -0.3255755929950156 0.1249999999999118
 18 -0.3208151425536500 0.1249999999998881
 19 -0.1366770519065481 0.1249999995160710
 20 -0.1133827477950049 0.1249999987539180
 21 -0.1003962366147436 0.1249999979118318
 22 -0.07361779829845953 0.1249999940936895
 23 -0.06523695714887051 0.1249999918781597
 24 -0.05210987216714090 0.1249999867113553
 25 -0.02387545297275690 0.1249999627100980
 26 -0.01108039544691213 0.1249999412015328
 27 0.2690449124115383 0.1248092836307866
 28 0.2725266109548696 0.1247937917344540
 29 0.6678524387543010 0.07235674361389284
 30 0.6888155388198944 0.06517653038527836
 31 0.7218394056264307 0.05381054828853574
 32 0.7466834156815981 0.04552296307780967
 33 0.7489666695878984 0.04478220732717100
 34 0.7753400901653292 0.03657199377574299
 35 0.7873392823664940 0.03308335267612242
 36 0.8070519372181528 0.02774380195296356
 37 0.8762392675953036 0.01331941508857419
 38 0.8831396992359660 0.01225341333779447
 39 1.133369334295675 0.0001544507163819686
 40 1.135771002977220 0.0001461585712862562
 41 15.30905516019885 0.000000000000000
 42 15.30905607909365 0.000000000000000
 43 15.37486646665210 0.000000000000000
 44 15.37486737043729 0.000000000000000
 45 18.35716159968254 0.000000000000000
 46 18.35716161821636 0.000000000000000
 47 18.51247563987506 0.000000000000000
 48 18.51247565284915 0.000000000000000
 49 18.57109764859559 0.000000000000000
 50 18.57109766986929 0.000000000000000
 51 18.59712410153965 0.000000000000000
 52 18.59712411476179 0.000000000000000

 spin=1 k-point=7/8 Cartesian=0.000000000000000 0.09615384615384615 0.09615384615384615 (16060 plane wave)
 1 -89.85699074877239 0.1250000000000000
 2 -89.85699074877226 0.1250000000000000
 3 -88.84554307015362 0.1250000000000000
 4 -88.84554307015341 0.1250000000000000
 5 -56.67420409829280 0.1250000000000000
 6 -56.67419329471898 0.1250000000000000
 7 -56.39005849288220 0.1250000000000000
 8 -56.39004761388113 0.1250000000000000
 9 -55.38185953974189 0.1250000000000000
 10 -55.38182803278148 0.1250000000000000
 11 -54.87471940386681 0.1250000000000000
 12 -54.87467604513337 0.1250000000000000
 13 -54.59056969144935 0.1250000000000000
 14 -54.59054741292996 0.1250000000000000
 15 -54.36879495896810 0.1250000000000000
 16 -54.36876042674812 0.1250000000000000
 17 -0.3255755929950357 0.1249999999999118
 18 -0.3208151425537464 0.1249999999998881
 19 -0.1366770519064420 0.1249999995160710
 20 -0.1133827477949824 0.1249999987539180
 21 -0.1003962366148703 0.1249999979118318
 22 -0.07361779829855414 0.1249999940936895
 23 -0.06523695714868510 0.1249999918781597
 24 -0.05210987216705153 0.1249999867113553
 25 -0.02387545297283903 0.1249999627100980
 26 -0.01108039544693661 0.1249999412015328
 27 0.2690449124115840 0.1248092836307864
 28 0.2725266109548506 0.1247937917344541
 29 0.6678524387543840 0.07235674361386470
 30 0.6888155388198056 0.06517653038530899
 31 0.7218394056265334 0.05381054828850079
 32 0.7466834156816297 0.04552296307779942
 33 0.7489666695879478 0.04478220732715500
 34 0.7753400901654027 0.03657199377572110
 35 0.7873392823665022 0.03308335267612006
 36 0.8070519372181978 0.02774380195295198
 37 0.8762392675952571 0.01331941508858158
 38 0.8831396992360546 0.01225341333778120
 39 1.133369334295658 0.0001544507163820299
 40 1.135771002977173 0.0001461585712864130
 41 15.30905516019880 0.000000000000000
 42 15.30905607909364 0.000000000000000
 43 15.37486646665213 0.000000000000000
 44 15.37486737043728 0.000000000000000
 45 18.35716159968255 0.000000000000000
 46 18.35716161821638 0.000000000000000
 47 18.51247563987505 0.000000000000000
 48 18.51247565284911 0.000000000000000
 49 18.57109764859557 0.000000000000000
 50 18.57109766986927 0.000000000000000
 51 18.59712410153966 0.000000000000000
 52 18.59712411476185 0.000000000000000

 spin=1 k-point=8/8 Cartesian=0.09615384615384615 0.09615384615384615 0.09615384615384615 (15984 plane wave)
 1 -89.85711385561392 0.1250000000000000
 2 -89.85711385561373 0.1250000000000000
 3 -88.84562992371109 0.1250000000000000
 4 -88.84562992371090 0.1250000000000000
 5 -56.67420708022627 0.1250000000000000
 6 -56.67420708022595 0.1250000000000000
 7 -56.39006232212823 0.1250000000000000
 8 -56.39006232212803 0.1250000000000000
 9 -55.38184827084054 0.1250000000000000
 10 -55.38184827084022 0.1250000000000000
 11 -54.87470246849925 0.1250000000000000
 12 -54.87470246849899 0.1250000000000000
 13 -54.59056417567563 0.1250000000000000
 14 -54.59056417567550 0.1250000000000000
 15 -54.36878095953954 0.1250000000000000
 16 -54.36878095953922 0.1250000000000000
 17 -0.1403178183824092 0.1249999995835283
 18 -0.1403178183822793 0.1249999995835283
 19 -0.1399897851604947 0.1249999995778462
 20 -0.1399897851604297 0.1249999995778462
 21 -0.08380195503915250 0.1249999960070119
 22 -0.08380195503908754 0.1249999960070119
 23 -0.03701930742821505 0.1249999768267667
 24 -0.03701930742795518 0.1249999768267666
 25 -0.001718900091853362 0.1249999183459262
 26 -0.001718900091788395 0.1249999183459262
 27 0.6858402901008112 0.06620253421540996
 28 0.6858402901009544 0.06620253421536061
 29 0.6889169476793724 0.06514153740750310
 30 0.6889169476794439 0.06514153740747841
 31 0.7415056758219376 0.04721764022240039
 32 0.7415056758220093 0.04721764022237680
 33 0.7980467674189727 0.03011986800372190
 34 0.7980467674191877 0.03011986800366391
 35 0.7989031631124957 0.02988924354793688
 36 0.7989031631124957 0.02988924354793688
 37 0.8213850500665536 0.02419183709979968
 38 0.8213850500666251 0.02419183709978267
 39 1.033029738507119 0.001232808011885470
 40 1.033029738507119 0.001232808011885470
 41 18.88989081062095 0.000000000000000
 42 18.88989081062095 0.000000000000000
 43 19.05861146951709 0.000000000000000
 44 19.05861146951709 0.000000000000000
 45 20.14589906467006 0.000000000000000
 46 20.14589906467006 0.000000000000000
 47 20.14603123232538 0.000000000000000
 48 20.14603123232545 0.000000000000000
 49 20.14616369090519 0.000000000000000
 50 20.14616369090519 0.000000000000000
 51 20.24975156422486 0.000000000000000
 52 20.24975156422486 0.000000000000000

