[Wien] DOS is empty and bandranges are zero
Thomas Claesson
tcl at kth.se
Mon May 30 11:00:57 CEST 2005
Thanks a lot for your reply, Torsten!
Let me sure I understand you correctly.
The QTL switch is only necessary when I want to calculate partial
charges, right? During the SCF cycle I should keep the switch set to
TOT, or? I thought it would be enough to just calulate partial charges
with "x lapw2 -qtl", as suggested by the w2web interface. Then it
shouldn't be necessary to manually change from TOT to QTL??
Torsten Andersen wrote:
> Dear Thomas,
>
> this is (I think) an RTFM error... you need to select QTL in case.in2(c)
> in stead of TOT, as far as I can tell.
>
> Best regards,
> Torsten Andersen.
>
> Thomas Claesson wrote:
>
>> Dear Wien users and developers!
>>
>> I am running WIEN2k_04.10 (Release 8/10/2004) on a Red Har Linux system
>> using the precompiled binaries. I want to calculate and plot the
>> bandstructure and DOS of my case, which is a hypothetical AF NiO
>> structure. I am running the scf cycle with runsp_lapw (no extra
>> switches). XC-potential: 'GGA of Perdew-Burke-Ernzerhof 96' size of
>> k-mesh: 10 k-points.
>>
>> I can initialize my case and run it to self-consistency without getting
>> any warnings or error messages. Wien2k finds the Fermi energy and
>> produces a plausible bandstructure in the GAMMA-X direction. I have
>> flipped the spin up and dn populations case.inst for the start density
>> and :MMTOT is converging towards zero as expected. However, when I try
>> to plot DOS it is completely empty (zero everywhere). And when I look in
>> case.output2(up/dn) I find that the bandranges for all bands are zero,
>> i.e. emax = emin for all bands. How is this possible when there is a lot
>> of dispersion in the plot produced by spaghetti? I have not made any
>> changes to the default case.in1 or case.in2 pruduced during the
>> initializing sequence. My guess is that something is wrong with one or
>> both of these input files. Or could it be that am I using too few
>> k-points?
>>
>> Below I attach the relevant input and output files (case.struct,
>> case.in1, case.in2, case.output2up, case.outputtup)
>>
>> Thanks for your replies!
>>
>> Any suggestions are welcome! Please let me know if you need more
>> information from me (like case.scf, case.outputsp or other files ...)
>> to understand this problem.
>>
>> Best regards,
>> Thomas Claesson
>>
>>
>> **********************************************************
>>
>> case.struct:
>>
>> NiO
>>
>> P LATTICE,NONEQUIV.ATOMS: 6 10 P2/m
>>
>> MODE OF CALC=RELA unit=bohr
>>
>> 9.674331 11.170955 5.585477 90.000000 90.000000125.264389
>>
>> ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000
>> MULT= 1 ISPLIT= 8
>> Ni1 NPT= 781 R0=0.00050000 RMT= 2.0000 Z: 28.0
>>
>> LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000
>> 0.0000000 1.0000000 0.0000000
>> 0.0000000 0.0000000 1.0000000
>> ATOM -2: X=0.00000000 Y=0.50000000 Z=0.00000000
>> MULT= 1 ISPLIT= 8
>> Ni2 NPT= 781 R0=0.00050000 RMT= 2.0000 Z: 28.0
>>
>> LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000
>> 0.0000000 1.0000000 0.0000000
>> 0.0000000 0.0000000 1.0000000
>> ATOM -3: X=0.50000000 Y=0.00000000 Z=0.50000000
>> MULT= 1 ISPLIT= 8
>> Ni3 NPT= 781 R0=0.00050000 RMT= 2.0000 Z: 28.0
>>
>> LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000
>> 0.0000000 1.0000000 0.0000000
>> 0.0000000 0.0000000 1.0000000
>> ATOM -4: X=0.50000000 Y=0.50000000 Z=0.50000000
>> MULT= 1 ISPLIT= 8
>> Ni4 NPT= 781 R0=0.00050000 RMT= 2.0000 Z: 28.0
>>
>> LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000
>> 0.0000000 1.0000000 0.0000000
>> 0.0000000 0.0000000 1.0000000
>> ATOM -5: X=0.50000000 Y=0.25000000 Z=0.00000000
>> MULT= 2 ISPLIT= 8
>> -5: X=0.50000000 Y=0.75000000 Z=0.00000000
>> O 1 NPT= 781 R0=0.00050000 RMT= 1.7500 Z: 8.0
>>
>> LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000
>> 0.0000000 1.0000000 0.0000000
>> 0.0000000 0.0000000 1.0000000
>> ATOM -6: X=0.00000000 Y=0.75000000 Z=0.50000000
>> MULT= 2 ISPLIT= 8
>> -6: X=0.00000000 Y=0.25000000 Z=0.50000000
>> O 2 NPT= 781 R0=0.00050000 RMT= 1.7500 Z: 8.0
>>
>>
>> **************************************************************
>>
>> case.in1:
>>
>> WFFIL (WFPRI, SUPWF)
>> 7.00 10 4 (R-MT*K-MAX; MAX L IN WF, V-NMT
>> 0.30 4 0 (GLOBAL E-PARAMETER WITH n OTHER CHOICES, global
>> APW/LAPW)
>> 1 0.30 0.000 CONT 1
>> 1 -4.96 0.005 STOP 1
>> 2 0.30 0.010 CONT 1
>> 0 0.30 0.000 CONT 1
>> 0.30 4 0 (GLOBAL E-PARAMETER WITH n OTHER CHOICES, global
>> APW/LAPW)
>> 1 0.30 0.000 CONT 1
>> 1 -4.80 0.005 STOP 1
>> 2 0.30 0.010 CONT 1
>> 0 0.30 0.000 CONT 1
>> 0.30 4 0 (GLOBAL E-PARAMETER WITH n OTHER CHOICES, global
>> APW/LAPW)
>> 1 0.30 0.000 CONT 1
>> 1 -4.96 0.005 STOP 1
>> 2 0.30 0.010 CONT 1
>> 0 0.30 0.000 CONT 1
>> 0.30 4 0 (GLOBAL E-PARAMETER WITH n OTHER CHOICES, global
>> APW/LAPW)
>> 1 0.30 0.000 CONT 1
>> 1 -4.80 0.005 STOP 1
>> 2 0.30 0.010 CONT 1
>> 0 0.30 0.000 CONT 1
>> 0.30 3 0 (GLOBAL E-PARAMETER WITH n OTHER CHOICES, global
>> APW/LAPW)
>> 0 -1.55 0.010 CONT 1
>> 0 0.30 0.000 CONT 1
>> 1 0.30 0.000 CONT 1
>> 0.30 3 0 (GLOBAL E-PARAMETER WITH n OTHER CHOICES, global
>> APW/LAPW)
>> 0 -1.55 0.010 CONT 1
>> 0 0.30 0.000 CONT 1
>> 1 0.30 0.000 CONT 1
>> K-VECTORS FROM UNIT:4 -7.0 1.5 emin/emax window
>>
>> *********************************************************************
>>
>> case.in2:
>>
>>
>> TOT (TOT,FOR,QTL,EFG,FERMI)
>> -9.0 88.0 0.50 0.05 EMIN, NE, ESEPERMIN,
>> ESEPER0
>> TETRA 0.000 (GAUSS,ROOT,TEMP,TETRA,ALL eval)
>> 0 0 2 0 2 2 -2 2 4 0 4 2 -4 2 4 4 -4 4 6 0 6 2 -6 2 6 4 -6 4
>> 6 6 -6 6
>> 0 0 2 0 2 2 -2 2 4 0 4 2 -4 2 4 4 -4 4 6 0 6 2 -6 2 6 4 -6 4
>> 6 6 -6 6
>> 0 0 2 0 2 2 -2 2 4 0 4 2 -4 2 4 4 -4 4 6 0 6 2 -6 2 6 4 -6 4
>> 6 6 -6 6
>> 0 0 2 0 2 2 -2 2 4 0 4 2 -4 2 4 4 -4 4 6 0 6 2 -6 2 6 4 -6 4
>> 6 6 -6 6
>> 0 0 1 1 -1 1 2 0 2 2 -2 2 3 1 -3 1 3 3 -3 3 4 0 4 2 -4 2 4 4
>> -4 4 5 1 -5 1 5 3 -5 3 5 5 -5 5 6 0 6 2 -6 2 6 4 -6 4 6 6 -6 6
>> 0 0 1 1 -1 1 2 0 2 2 -2 2 3 1 -3 1 3 3 -3 3 4 0 4 2 -4 2 4 4
>> -4 4 5 1 -5 1 5 3 -5 3 5 5 -5 5 6 0 6 2 -6 2 6 4 -6 4 6 6 -6 6
>> 14. GMAX
>> FILE FILE/NOFILE write recprlist
>>
>> ***************************************************************************
>>
>>
>> case.output2up:
>>
>> Running LAPW2 in single processor mode
>>
>> Modus: TOT
>> no read error
>> RECPR LIST: FILE
>>
>>
>>
>>
>>
>> --------------------------------------------------
>> S T R U C T U R A L I N F O R M A T
>> I O N
>>
>> --------------------------------------------------
>>
>>
>> SUBSTANCE = NiO
>>
>>
>> LATTICE = P
>> LATTICE CONSTANTS ARE = 9.6743310 11.1709550 5.5854770
>> NUMBER OF ATOMS IN UNITCELL = 6
>> MODE OF CALCULATION IS = RELA
>> TYPE OF COORDINATES IN DSPLIT=
>> reading recprlist from file
>> BZ-integration with TETRA-program. icor=: 1
>> call eord...
>> call dos...
>> FERMI ENERGY AT 0.4897652208544909
>> SUM RULE OF TETRAHEDRON INTEGRATION CHECKED
>> call eweigh...
>> number of occupied bands: 44
>> highest energy: 0.4866637317612166
>>
>> Bandranges (emin - emax):
>> band 1 -4.223602868869058 -4.223602868869058
>> band 2 -4.223357755608264 -4.223357755608264
>> band 3 -4.223265432887361 -4.223265432887361
>> band 4 -4.223034145251924 -4.223034145251924
>> band 5 -4.208316267947989 -4.208316267947989
>> band 6 -4.207854147874764 -4.207854147874764
>> band 7 -4.096703236946777 -4.096703236946777
>> band 8 -4.095973060863754 -4.095973060863754
>> band 9 -4.095784007635840 -4.095784007635840
>> band 10 -4.095457783903152 -4.095457783903152
>> band 11 -4.095264216540885 -4.095264216540885
>> band 12 -4.095225418256874 -4.095225418256874
>> band 13 -0.8888831877608215 -0.8888831877608215
>> band 14 -0.8525961078713195 -0.8525961078713195
>> band 15 -0.8525910811188137 -0.8525910811188137
>> band 16 -0.8302355584640914 -0.8302355584640914
>> band 17 2.0372206294521522E-002 2.0372206294521522E-002
>> band 18 2.0885957364879193E-002 2.0885957364879193E-002
>> band 19 7.5873657901876168E-002 7.5873657901876168E-002
>> band 20 9.8238896712473878E-002 9.8238896712473878E-002
>> band 21 9.8872272570013298E-002 9.8872272570013298E-002
>> band 22 0.1235684909340891 0.1235684909340891
>> band 23 0.1448276688653105 0.1448276688653105
>> band 24 0.1449614859808359 0.1449614859808359
>> band 25 0.1475734369783726 0.1475734369783726
>> band 26 0.1494124391420661 0.1494124391420661
>> band 27 0.2500459449008754 0.2500459449008754
>> band 28 0.2510721651665784 0.2510721651665784
>> band 29 0.3377008629273877 0.3377008629273877
>> band 30 0.3937185807729739 0.3937185807729739
>> band 31 0.3973213230488404 0.3973213230488404
>> band 32 0.4005262975979710 0.4005262975979710
>> band 33 0.4048306710645222 0.4048306710645222
>> band 34 0.4077160471198664 0.4077160471198664
>> band 35 0.4176324326671899 0.4176324326671899
>> band 36 0.4328709084171183 0.4328709084171183
>> band 37 0.4358610944233043 0.4358610944233043
>> band 38 0.4428350497262161 0.4428350497262161
>> band 39 0.4517268033866082 0.4517268033866082
>> band 40 0.4644505935594885 0.4644505935594885
>> band 41 0.4689545605568521 0.4689545605568521
>> band 42 0.4755895070737206 0.4755895070737206
>> band 43 0.4843671701628415 0.4843671701628415
>> band 44 0.4866637317612166 0.4866637317612166
>> band 45 0.5662129698809362 0.5662129698809362
>> band 46 0.5856243052137109 0.5856243052137109
>> band 47 0.6459990871859760 0.6459990871859760
>> band 48 0.6519746681778513 0.6519746681778513
>> band 49 0.9500812567039251 0.9500812567039251
>> band 50 1.064816429760143 1.064816429760143
>> band 51 1.065063693924019 1.065063693924019
>> band 52 1.175747769196859 1.175747769196859
>> band 53 1.333793708584221 1.333793708584221
>> band 54 1.334995090665162 1.334995090665162
>> band 55 1.351803549342354 1.351803549342354
>> band 56 1.352011530518280 1.352011530518280
>> band 57 1.364129162551853 1.364129162551853
>> band 58 1.364154335406912 1.364154335406912
>>
>> eseper below EF 0.5000000000000000
>> eseper minimum gap 5.0000000000000000E-002
>> Energy to separate semicore and valence states: -2.9627793705478478E-002
>>
>>
>> :NOE : NUMBER OF ELECTRONS = 88.000
>>
>> :FER : F E R M I - ENERGY(TETRAH.M.)= 0.48977
>> wmist 44.00000000003522
>> FORCE-CALCULATION: F
>>
>>
>> --------------------------------------------------------------------
>> W A V E F U N C T I O N S AND C H A R G E S IN S P H
>> E R E S
>>
>> --------------------------------------------------------------------
>>
>>
>>
>>
>> :POS001: AT.NR. -1 POSITION = 0.00000 0.00000 0.00000 MULTIPLICITY = 1
>>
>>
>> NOT EQUIV ATOM Ni1 LOCAL ROTATION MATRIX
>> 1.00000 0.00000 0.00000
>> 0.00000 1.00000 0.00000
>> 0.00000 0.00000 1.00000
>> EQUIV ATOM 1 POSITION: 0.000 0.000 0.000
>> 1.00000 0.00000 0.00000
>> 0.00000
>> 0.00000 1.00000 0.00000
>> 0.00000
>> 0.00000 0.00000 1.00000
>> 0.00000
>>
>> ATOMIC PARAMETERS FOR Ni1
>>
>> ENERGY PARAMETERS ARE 0.30 0.30 0.31 0.30 0.30
>> 0.30 0.30
>> ENERGY PARAMETERS ARE 0.30 0.30
>>
>>
>> ****************************************************************************
>>
>>
>>
>> case.outputtup:
>>
>>
>> Title
>>
>> IAV : 0
>> NPRINT : 1
>> 5 CASES FOR DOS : ATOM L
>> CASE 1 : ATOM NUMBER 0 COLUMN READ 0 DOSTYPE=total
>> CASE 2 : ATOM NUMBER 1 COLUMN READ 1 DOSTYPE=Atom1
>> CASE 3 : ATOM NUMBER 2 COLUMN READ 1 DOSTYPE=Atom1
>> CASE 4 : ATOM NUMBER 3 COLUMN READ 1 DOSTYPE=Atom1
>> CASE 5 : ATOM NUMBER 4 COLUMN READ 1 DOSTYPE=Atom2
>>
>> iO
>> LATTICE CONST.= 9.6743011.17100 5.58550 FERMI ENERGY= 0.48990
>> 613 <; NMAT <; 613 SPIN=2 NATO= 7
>> JATOM 1 MULT= 1 ISPLIT= 8
>> tot,0,1,PX,PY,PZ,2,DZ2,DX2Y2,DXY,DXZ,DYZ,3
>> JATOM 2 MULT= 1 ISPLIT= 8
>> tot,0,1,PX,PY,PZ,2,DZ2,DX2Y2,DXY,DXZ,DYZ,3
>> JATOM 3 MULT= 1 ISPLIT= 8
>> tot,0,1,PX,PY,PZ,2,DZ2,DX2Y2,DXY,DXZ,DYZ,3
>> JATOM 4 MULT= 1 ISPLIT= 8
>> tot,0,1,PX,PY,PZ,2,DZ2,DX2Y2,DXY,DXZ,DYZ,3
>> JATOM 5 MULT= 2 ISPLIT= 8
>> tot,0,1,PX,PY,PZ,2,DZ2,DX2Y2,DXY,DXZ,DYZ,3
>> JATOM 6 MULT= 2 ISPLIT= 8
>> tot,0,1,PX,PY,PZ,2,DZ2,DX2Y2,DXY,DXZ,DYZ,3
>> BAND LIMITS OF BAND 1 ARE -4.22330 -4.22330
>> BAND LIMITS OF BAND 2 ARE -4.22302 -4.22302
>> BAND LIMITS OF BAND 3 ARE -4.22288 -4.22288
>> BAND LIMITS OF BAND 4 ARE -4.22265 -4.22265
>> BAND LIMITS OF BAND 5 ARE -4.20815 -4.20815
>> BAND LIMITS OF BAND 6 ARE -4.20772 -4.20772
>> BAND LIMITS OF BAND 7 ARE -4.09680 -4.09680
>> BAND LIMITS OF BAND 8 ARE -4.09612 -4.09612
>> BAND LIMITS OF BAND 9 ARE -4.09595 -4.09595
>> BAND LIMITS OF BAND 10 ARE -4.09562 -4.09562
>> BAND LIMITS OF BAND 11 ARE -4.09518 -4.09518
>> BAND LIMITS OF BAND 12 ARE -4.09515 -4.09515
>> BAND LIMITS OF BAND 13 ARE -0.88884 -0.88884
>> BAND LIMITS OF BAND 14 ARE -0.85256 -0.85256
>> BAND LIMITS OF BAND 15 ARE -0.85256 -0.85256
>> BAND LIMITS OF BAND 16 ARE -0.83021 -0.83021
>> BAND LIMITS OF BAND 17 ARE 0.02043 0.02043
>> BAND LIMITS OF BAND 18 ARE 0.02100 0.02100
>> BAND LIMITS OF BAND 19 ARE 0.07595 0.07595
>> BAND LIMITS OF BAND 20 ARE 0.09832 0.09832
>> BAND LIMITS OF BAND 21 ARE 0.09896 0.09896
>> BAND LIMITS OF BAND 22 ARE 0.12363 0.12363
>> BAND LIMITS OF BAND 23 ARE 0.14494 0.14494
>> BAND LIMITS OF BAND 24 ARE 0.14502 0.14502
>> BAND LIMITS OF BAND 25 ARE 0.14764 0.14764
>> BAND LIMITS OF BAND 26 ARE 0.14947 0.14947
>> BAND LIMITS OF BAND 27 ARE 0.25009 0.25009
>> BAND LIMITS OF BAND 28 ARE 0.25115 0.25115
>> BAND LIMITS OF BAND 29 ARE 0.33787 0.33787
>> BAND LIMITS OF BAND 30 ARE 0.39398 0.39398
>> BAND LIMITS OF BAND 31 ARE 0.39776 0.39776
>> BAND LIMITS OF BAND 32 ARE 0.40059 0.40059
>> BAND LIMITS OF BAND 33 ARE 0.40489 0.40489
>> BAND LIMITS OF BAND 34 ARE 0.40779 0.40779
>> BAND LIMITS OF BAND 35 ARE 0.41765 0.41765
>> BAND LIMITS OF BAND 36 ARE 0.43324 0.43324
>> BAND LIMITS OF BAND 37 ARE 0.43628 0.43628
>> BAND LIMITS OF BAND 38 ARE 0.44293 0.44293
>> BAND LIMITS OF BAND 39 ARE 0.45169 0.45169
>> BAND LIMITS OF BAND 40 ARE 0.46451 0.46451
>> BAND LIMITS OF BAND 41 ARE 0.46883 0.46883
>> BAND LIMITS OF BAND 42 ARE 0.47555 0.47555
>> BAND LIMITS OF BAND 43 ARE 0.48440 0.48440
>> BAND LIMITS OF BAND 44 ARE 0.48675 0.48675
>> BAND LIMITS OF BAND 45 ARE 0.56612 0.56612
>> BAND LIMITS OF BAND 46 ARE 0.58553 0.58553
>> BAND LIMITS OF BAND 47 ARE 0.64598 0.64598
>> BAND LIMITS OF BAND 48 ARE 0.65194 0.65194
>> BAND LIMITS OF BAND 49 ARE 0.95018 0.95018
>> BAND LIMITS OF BAND 50 ARE 1.06492 1.06492
>> BAND LIMITS OF BAND 51 ARE 1.06521 1.06521
>> BAND LIMITS OF BAND 52 ARE 1.17583 1.17583
>> BAND LIMITS OF BAND 53 ARE 1.33395 1.33395
>> BAND LIMITS OF BAND 54 ARE 1.33516 1.33516
>> BAND LIMITS OF BAND 55 ARE 1.35195 1.35195
>> BAND LIMITS OF BAND 56 ARE 1.35210 1.35210
>> BAND LIMITS OF BAND 57 ARE 1.36431 1.36431
>> BAND LIMITS OF BAND 58 ARE 1.36432 1.36432
>> EMAX reduced due to lower HIGHEST BAND-minimum
>> EMIN, DE, EMAX : -0.50000 0.00200 1.36432
>>
>> EMIN= -0.50000 EMAX= 1.36432 EFACTR= 499.99996948 ESTEP =
>> 0.00200
>> ENERGY BAND 1 THROUGH 58 ENERGY CHANNEL: 1 TO 933
>> NUMBER OF K-POINTS: 1
>> NUMBER OF TETRAHEDRONS: 1
>> # Title
>> #EF= 0.48990 NDOS= 5 NENRG= 933 Gaussian bradening: 0.00300
>> NUMBER OF ELECTRONS UP TO EF : 28.0000
>>
>> DOS in states/Ry/spin
>> # ENERGY 0 total 1 Atom1 2 Atom1 3
>> Atom1 4 Atom2
>> smearing 1 0.3989423 2.000000
>> smearing 1 0.3989423 2.000000
>> smearing 1 0.3989423 2.000000
>> smearing 1 0.3989423 2.000000
>> smearing 1 0.3989423 2.000000
>> -0.50000 0.00 0.0000 0.00 0.0000 0.00 0.0000
>> 0.00 0.0000 0.00 0.0000
>> -0.49800 0.00 0.0000 0.00 0.0000 0.00 0.0000
>> 0.00 0.0000 0.00 0.0000
>> -0.49600 0.00 0.0000 0.00 0.0000 0.00 0.0000
>> 0.00 0.0000 0.00 0.0000
>> -0.49400 0.00 0.0000 0.00 0.0000 0.00 0.0000
>> 0.00 0.0000 0.00 0.0000
>> -0.49200 0.00 0.0000 0.00 0.0000 0.00 0.0000
>> 0.00 0.0000 0.00 0.0000
>> -0.49000 0.00 0.0000 0.00 0.0000 0.00 0.0000
>> 0.00 0.0000 0.00 0.0000
>> -0.48800 0.00 0.0000 0.00 0.0000 0.00 0.0000
>> 0.00 0.0000 0.00 0.0000
>> -0.48600 0.00 0.0000 0.00 0.0000 0.00 0.0000
>> 0.00 0.0000 0.00 0.0000
>> -0.48400 0.00 0.0000 0.00 0.0000 0.00 0.0000
>> 0.00 0.0000 0.00 0.0000
>> -0.48200 0.00 0.0000 0.00 0.0000 0.00 0.0000
>> 0.00 0.0000 0.00 0.0000
>> -0.48000 0.00 0.0000 0.00 0.0000 0.00 0.0000
>> 0.00 0.0000 0.00 0.0000
>> -0.47800 0.00 0.0000 0.00 0.0000 0.00 0.0000
>> 0.00 0.0000 0.00 0.0000
>> -0.47600 0.00 0.0000 0.00 0.0000 0.00 0.0000
>> 0.00 0.0000 0.00 0.0000
>> -0.47400 0.00 0.0000 0.00 0.0000 0.00 0.0000
>> 0.00 0.0000 0.00 0.0000
>> -0.47200 0.00 0.0000 0.00 0.0000 0.00 0.0000
>> 0.00 0.0000 0.00 0.0000
>> -0.47000 0.00 0.0000 0.00 0.0000 0.00 0.0000
>> 0.00 0.0000 0.00 0.0000
>> -0.46800 0.00 0.0000 0.00 0.0000 0.00 0.0000
>> 0.00 0.0000 0.00 0.0000
>> -0.46600 0.00 0.0000 0.00 0.0000 0.00 0.0000
>> 0.00 0.0000 0.00 0.0000
>> -0.46400 0.00 0.0000 0.00 0.0000 0.00 0.0000
>> 0.00 0.0000 0.00 0.0000
>> -0.46200 0.00 0.0000 0.00 0.0000 0.00 0.0000
>> 0.00 0.0000 0.00 0.0000
>> -0.46000 0.00 0.0000 0.00 0.0000 0.00 0.0000
>> 0.00 0.0000 0.00 0.0000
>> -0.45800 0.00 0.0000 0.00 0.0000 0.00 0.0000
>> 0.00 0.0000 0.00 0.0000
>> -0.45600 0.00 0.0000 0.00 0.0000 0.00 0.0000
>> 0.00 0.0000 0.00 0.0000
>> -0.45400 0.00 0.0000 0.00 0.0000 0.00 0.0000
>> 0.00 0.0000 0.00 0.0000
>> -0.45200 0.00 0.0000 0.00 0.0000 0.00 0.0000
>> 0.00 0.0000 0.00 0.0000
>> -0.45000 0.00 0.0000 0.00 0.0000 0.00 0.0000
>> 0.00 0.0000 0.00 0.0000
>> -0.44800 0.00 0.0000 0.00 0.0000 0.00 0.0000
>> 0.00 0.0000 0.00 0.0000
>> -0.44600 0.00 0.0000 0.00 0.0000 0.00 0.0000
>> 0.00 0.0000 0.00 0.0000
>> -0.44400 0.00 0.0000 0.00 0.0000 0.00 0.0000
>> 0.00 0.0000 0.00 0.0000
>> -0.44200 0.00 0.0000 0.00 0.0000 0.00 0.0000
>> 0.00 0.0000 0.00 0.0000
>> -0.44000 0.00 0.0000 0.00 0.0000 0.00 0.0000
>> 0.00 0.0000 0.00 0.0000
>> -0.43800 0.00 0.0000 0.00 0.0000 0.00 0.0000
>> 0.00 0.0000 0.00 0.0000
>> -0.43600 0.00 0.0000 0.00 0.0000 0.00 0.0000
>> 0.00 0.0000 0.00 0.0000
>> -0.43400 0.00 0.0000 0.00 0.0000 0.00 0.0000
>> 0.00 0.0000 0.00 0.0000
>> -0.43200 0.00 0.0000 0.00 0.0000 0.00 0.0000
>> 0.00 0.0000 0.00 0.0000
>> -0.43000 0.00 0.0000 0.00 0.0000 0.00 0.0000
>> 0.00 0.0000 0.00 0.0000
>> -0.42800 0.00 0.0000 0.00 0.0000 0.00 0.0000
>> 0.00 0.0000 0.00 0.0000
>> -0.42600 0.00 0.0000 0.00 0.0000 0.00 0.0000
>> 0.00 0.0000 0.00 0.0000
>>
>>
>>
>>
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