[CPMD-list] Au clusters with Vanderbilt USPP
Axel Kohlmeyer
axel.kohlmeyer at theochem.ruhr-uni-bochum.de
Sat Nov 27 14:50:02 CET 2004
On Sat, 27 Nov 2004, Yvan Girard wrote:
YG> Dear CPMD users,
dear yvan,
the campos pseudopotential for gold from the vanderbilt library
is incompatible with cpmd. for historical reasons cpmd needs
to have the same number of projectors for each angular momentum.
YG> For my very first steps with the CPMD calculations, I would like to perform
YG> some geometry optimization of Au clusters. I tried several pseudopotentials
YG> and functionnals, but I am a bit surprised by the results with VDB pp. Even
YG> with the simple Au-Au dimer, and after a very long geometry optimization, I
the initial guess, that cpmd produces is not always very well suited
for uspps and so the wavefunction optimizer may get 'stuck' in the wrong
state. you may want to try out starting from a randomized wavefunction
(INITIALIZE WAVEFUNCTION) or do some steps of simulated annealing
for the electrons only first. (example input is attached).
to speed up the geometry optimization you can try the adaptive convergence
(second attached example, starts from the partially annealed
wavefunction).
YG> finally get an interatomic distance of 3.4 angstroms (about 2.6 A expected).
YG> With Trouiller-Martin pseudopotentials, I get a reasonable distance (2.5 A)
YG> even with a very low cutoff value (40 Ry).
YG>
YG> Can you tell me what I did wrong?
nothing really. if you apply the attached patch (relative to the 3.9.1
release), and recompile your cpmd version will be able to detect
incompatible pseudopotentials.
best regards,
axel.
YG>
YG> Yvan.
YG>
YG> ********************************************
YG> INPUT FILE - starting geometry ~ 3 Ang.
YG> with pp from http://www.physics.rutgers.edu/~dhv/uspp/uspp-cur/Work/079-Au/
YG>
YG>
YG> ***********************
YG> &CPMD
YG> OPTIMIZE GEOMETRY XYZ SAMPLE
YG> 1
YG> CONVERGENCE ORBITALS
YG> 1E-6
YG> CONVERGENCE GEOMETRY
YG> 1E-4
YG> MEMORY BIG
YG> PCG
YG> RHOOUT
YG> STORE
YG> 35
YG> &END
YG>
YG> &DFT
YG> FUNCTIONAL GGA
YG> GC-CUTOFF
YG> 5.0E-06
YG> &END
YG>
YG> &SYSTEM
YG> SYMMETRY
YG> 0
YG> ANGSTROM
YG> CELL
YG> 8 1 1 0.0 0.0 0.0
YG> CUTOFF
YG> 40.
YG> &END
YG>
YG> &ATOMS
YG> *079-Au-gpw-n-campos.uspp NEWF BINARY TPSEU
YG> LMAX=D
YG> 2
YG> 4.359520854514 5.319510212275 5.000738935348
YG> 3.413895342766 2.595692582913 5.169297862747
YG>
YG> &END
YG>
YG>
YG>
YG> ***************************************
YG> Parts of the OUTPUT file :
YG>
YG> **********************************
YG> PROGRAM CPMD STARTED AT: Thu Nov 18 23:55:47 2004
YG> VERSION 3.9.1
YG>
YG> THE JOB WAS SUBMITTED BY: yvan
YG>
YG> OPTIMIZATION OF IONIC POSITIONS
YG>
YG> PATH TO THE RESTART FILES: ./
YG> GRAM-SCHMIDT ORTHOGONALIZATION
YG> MAXIMUM NUMBER OF STEPS: 10000 STEPS
YG> PRINT INTERMEDIATE RESULTS EVERY 10001 STEPS
YG> STORE INTERMEDIATE RESULTS EVERY 35 STEPS
YG> STORE INTERMEDIATE RESULTS EVERY 10001 SELF-CONSISTENT STEPS
YG> NUMBER OF DISTINCT RESTART FILES: 1
YG> TEMPERATURE IS CALCULATED ASSUMING EXTENDED BULK BEHAVIOR
YG> STORE ELECTRON DENSITY AT THE END OF THE RUN
YG> FICTITIOUS ELECTRON MASS: 400.0000
YG> TIME STEP FOR ELECTRONS: 5.0000
YG> TIME STEP FOR IONS: 5.0000
YG> CONVERGENCE CRITERIA FOR WAVEFUNCTION OPTIMIZATION: 1.0000E-06
YG> WAVEFUNCTION OPTIMIZATION BY PRECONDITIONED CG
YG> THRESHOLD FOR THE HESSIAN IS 0.5000
YG> FULL ELECTRONIC GRADIENT IS USED
YG> CONVERGENCE CRITERIA FOR GEOMETRY OPTIMIZATION: 1.000000E-04
YG> GEOMETRY OPTIMIZATION BY GDIIS/BFGS
YG> SIZE OF GDIIS MATRIX: 5
YG> GEOMETRY OPTIMIZATION IS SAVED ON FILE GEO_OPT.xyz
YG> EMPIRICAL INITIAL HESSIAN (DISCO PARAMETRISATION)
YG> SPLINE INTERPOLATION IN G-SPACE FOR PSEUDOPOTENTIAL FUNCTIONS
YG> NUMBER OF SPLINE POINTS: 5000
YG>
YG> EXCHANGE CORRELATION FUNCTIONALS
YG> LDA EXCHANGE: NONE
YG> LDA XC THROUGH PADE APPROXIMATION
YG> S.GOEDECKER, J.HUTTER, M.TETER PRB 54 1703 (1996)
YG> GRADIENT CORRECTED FUNCTIONAL
YG> DENSITY THRESHOLD: 5.00000E-06
YG> EXCHANGE ENERGY
YG> [GGA: J.P. PERDEW ET AL. PHYS. REV. B 46, 6671 (1992)]
YG> CORRELATION ENERGY
YG> [GGA: J.P. PERDEW ET AL. PHYS. REV. B 46, 6671
YG> (1992)]
YG>
YG> *** DETSP| THE NEW SIZE OF THE PROGRAM IS 1324/ 18900 kBYTES ***
YG>
YG>
YG>
YG> >>>>>>>> CENTER OF MASS HAS BEEN MOVED TO CENTER OF BOX <<<<<<<<
YG>
YG>
YG> ***************************** ATOMS ****************************
YG> NR TYPE X(bohr) Y(bohr) Z(bohr) MBL
YG> 1 Au 8.452391 10.132538 7.399639 3
YG> 2 Au 6.665417 4.985269 7.718169 3
YG> ****************************************************************
YG>
YG> NUMBER OF STATES: 11
YG> NUMBER OF ELECTRONS: 22.00000
YG> CHARGE: 0.00000
YG> ELECTRON TEMPERATURE(KELVIN): 0.00000
YG> OCCUPATION
YG> 2.0 2.0 2.0 2.0 2.0 2.0 2.0 2.0 2.0 2.0 2.0
YG>
YG> ============================================================
YG> | pseudopotential report: version 7.3.5 date 11- 9-2004 |
YG> ------------------------------------------------------------
YG> | Au (US s-loc) Perdew Wang 1991 exchange-corr |
YG> | z = 79.00 zv = 11.00 exfact = 4.00000 |
YG> | etot =-101.80699 |
YG> | index orbital occupation energy |
YG> | 1 520 9.50 -0.67 |
YG> | 2 600 1.00 -0.52 |
YG> | 3 610 0.50 -0.11 |
YG> | keyps = 3 ifpcor = 1 |
YG> | rinner = 1.10 for L= 1 |
YG> | rinner = 1.10 for L= 2 |
YG> | rinner = 1.10 for L= 3 |
YG> | rinner = 1.10 for L= 4 |
YG> | rinner = 1.10 for L= 5 |
YG> | new generation scheme: |
YG> | nbeta = 3 kkbeta = 747 rcloc = 2.3723 |
YG> | ibeta l epsilon rcut iptype |
YG> | 1 1 -0.11 2.37 3 |
YG> | 2 2 -0.67 1.90 2 |
YG> | 3 2 0.00 1.90 2 |
YG> | npf = 8 ptryc = 10.000 |
YG> | lloc = 0 eloc = -0.523 |
YG> | ifqopt = 3 nqf = 8 qtryc = 10.000 |
YG> | all electron calculation used koelling-harmon equation |
YG> | ************logarithmic mesh************ |
YG> ============================================================
YG>
YG> ****************************************************************
YG> * ATOM MASS RAGGIO NLCC PSEUDOPOTENTIAL *
YG> * Au 196.9670 1.2000 YES VANDERBILT *
YG> ****************************************************************
YG>
YG>
YG> OPENMPOPENMPOPENMPOPENMPOPENMPOPENMPOPENMPOPENMPOPENMPOPENMPOPEN
YG> NUMBER OF CPUS PER TASK 1
YG> OPENMPOPENMPOPENMPOPENMPOPENMPOPENMPOPENMPOPENMPOPENMPOPENMPOPEN
YG>
YG> *** RGGEN| THE NEW SIZE OF THE PROGRAM IS 6244/ 31408 kBYTES ***
YG>
YG> ************************** SUPERCELL ***************************
YG> THIS IS AN ISOLATED SYSTEM CALCULATION
YG> POISSON EQUATION SOLVER : HOCKNEY
YG> COULOMB SMOOTHING RADIUS : 1.080
YG> SYMMETRY: SIMPLE CUBIC
YG> LATTICE CONSTANT(a.u.): 15.11781
YG> CELL DIMENSION: 15.1178 1.0000 1.0000 0.0000 0.0000 0.0000
YG> VOLUME(OMEGA IN BOHR^3): 3455.14651
YG> LATTICE VECTOR A1(BOHR): 15.1178 0.0000 0.0000
YG> LATTICE VECTOR A2(BOHR): 0.0000 15.1178 0.0000
YG> LATTICE VECTOR A3(BOHR): 0.0000 0.0000 15.1178
YG> RECIP. LAT. VEC. B1(2Pi/BOHR): 0.0661 0.0000 0.0000
YG> RECIP. LAT. VEC. B2(2Pi/BOHR): 0.0000 0.0661 0.0000
YG> RECIP. LAT. VEC. B3(2Pi/BOHR): 0.0000 0.0000 0.0661
YG> REAL SPACE MESH: 64 64 64
YG> WAVEFUNCTION CUTOFF(RYDBERG): 40.00000
YG> DENSITY CUTOFF(RYDBERG): (DUAL= 4.00) 160.00000
YG> NUMBER OF PLANE WAVES FOR WAVEFUNCTION CUTOFF: 7386
YG> NUMBER OF PLANE WAVES FOR DENSITY CUTOFF: 59133
YG> ****************************************************************
YG>
YG> *** RINFORCE| THE NEW SIZE OF THE PROGRAM IS 21540/ 47868 kBYTES ***
YG> *** FFTPRP| THE NEW SIZE OF THE PROGRAM IS 28956/ 45612 kBYTES ***
YG> *** CLUSTER| THE NEW SIZE OF THE PROGRAM IS 31720/ 48224 kBYTES ***
YG>
YG> GENERATE ATOMIC BASIS SET
YG> Au SLATER ORBITALS
YG> 5D ALPHA= 3.9625 OCCUPATION=10.00
YG> 6S ALPHA= 0.8810 OCCUPATION= 1.00
YG>
YG>
YG> INITIALIZATION TIME: 14.71 SECONDS
YG>
YG> *** GMOPTS| THE NEW SIZE OF THE PROGRAM IS 32120/ 54340 kBYTES ***
YG> *** PHFAC| THE NEW SIZE OF THE PROGRAM IS 32312/ 80952 kBYTES ***
YG> *** ATOMWF| THE NEW SIZE OF THE PROGRAM IS 34408/ 83036 kBYTES ***
YG> ATRHO| CHARGE(R-SPACE): 22.000000 (G-SPACE): 22.000000
YG>
YG> ****************************************************************
YG> * ATOMIC COORDINATES *
YG> ****************************************************************
YG> 1 Au 8.452391 10.132538 7.399639
YG> 2 Au 6.665417 4.985269 7.718169
YG> ****************************************************************
YG>
YG>
YG> DEGREES OF FREEDOM FOR SYSTEM: 3
YG>
YG> INITIALIZE EMPIRICAL HESSIAN
YG> <<<<< ASSUMED BONDS >>>>>
YG> 2 <--> 1
YG> TOTAL NUMBER OF MOLECULAR STRUCTURES: 1
YG>
YG> ****************************************************************
YG> * ATOMIC COORDINATES *
YG> ****************************************************************
YG> 1 Au 8.452391 10.132538 7.399639
YG> 2 Au 6.665417 4.985269 7.718169
YG> ****************************************************************
YG>
YG> CPU TIME FOR INITIALIZATION 3.15 SECONDS
YG>
YG>
YG> ================================================================
YG> = GEOMETRY OPTIMIZATION =
YG> ================================================================
YG> NFI GEMAX CNORM ETOT DETOT TCPU
YG> EWALD| SUM IN REAL SPACE OVER 1* 1* 1 CELLS
YG>
YG> [...]
YG> [...]
YG> [...]
YG> [...]
YG> [...]
YG>
YG> ****************************************************************
YG> *** TOTAL STEP NR. 9967 GEOMETRY STEP NR. 148 ***
YG> *** GNMAX= 2.082271E-02 [1.77E-03] ETOT= -71.375704 ***
YG> *** GNORM= 1.378784E-02 DETOT= 1.486E-05 ***
YG> *** CNSTR= 0.000000E+00 TCPU= 141.87 ***
YG> ****************************************************************
YG> 1 2.737E-04 3.911E-05 -71.375701 2.312E-06 2.09
YG> 2 2.409E-04 3.401E-05 -71.375704 -2.259E-06 2.08
YG> 3 1.980E-04 2.747E-05 -71.375706 -2.360E-06 2.08
YG> 4 1.591E-04 2.173E-05 -71.375707 -1.573E-06 2.07
YG> 5 1.273E-04 1.721E-05 -71.375708 -9.093E-07 2.07
YG> 6 1.019E-04 1.374E-05 -71.375709 -4.998E-07 2.07
YG> 7 8.167E-05 1.106E-05 -71.375709 -2.648E-07 2.08
YG> 8 6.550E-05 8.995E-06 -71.375709 -1.324E-07 2.08
YG>
YG> RESTART INFORMATION WRITTEN ON FILE ./RESTART.1
YG> 9 5.256E-05 7.387E-06 -71.375709 -5.869E-08 2.07
YG> 10 4.220E-05 6.125E-06 -71.375709 -1.853E-08 2.07
YG> 11 3.389E-05 5.126E-06 -71.375709 2.500E-09 2.09
YG> 12 2.577E-05 4.140E-06 -71.375709 1.833E-08 2.08
YG> 13 1.961E-05 3.323E-06 -71.375709 2.760E-08 2.08
YG> 14 1.575E-05 2.681E-06 -71.375709 2.928E-08 2.07
YG> 15 1.329E-05 2.176E-06 -71.375709 2.694E-08 2.09
YG> 16 1.183E-05 1.765E-06 -71.375709 2.317E-08 2.08
YG> 17 1.063E-05 1.422E-06 -71.375709 1.904E-08 2.08
YG> 18 9.609E-06 1.130E-06 -71.375709 1.494E-08 2.07
YG> 19 8.742E-06 8.838E-07 -71.375709 1.099E-08 2.07
YG> 20 7.996E-06 6.816E-07 -71.375709 7.339E-09 2.08
YG> 21 7.346E-06 5.265E-07 -71.375709 4.173E-09 2.09
YG> 22 6.750E-06 4.191E-07 -71.375709 1.815E-09 2.09
YG> 23 6.199E-06 3.628E-07 -71.375709 4.852E-11 2.09
YG> 24 5.681E-06 3.452E-07 -71.375709 -1.123E-09 2.09
YG> 25 5.187E-06 3.449E-07 -71.375709 -1.801E-09 2.08
YG> 26 4.711E-06 3.446E-07 -71.375709 -2.116E-09 2.09
YG> 27 4.252E-06 3.355E-07 -71.375709 -2.188E-09 2.07
YG> 28 3.813E-06 3.150E-07 -71.375709 -2.118E-09 2.07
YG> 29 3.400E-06 2.840E-07 -71.375709 -1.981E-09 2.07
YG> 30 3.021E-06 2.457E-07 -71.375709 -1.836E-09 2.08
YG> 31 2.681E-06 2.046E-07 -71.375709 -1.718E-09 2.09
YG> 32 2.383E-06 1.656E-07 -71.375709 -1.644E-09 2.50
YG> 33 2.128E-06 1.333E-07 -71.375709 -1.615E-09 2.49
YG> ================================================================
YG> = END OF GEOMETRY OPTIMIZATION =
YG> ================================================================
YG>
YG>
YG>
YG> RESTART INFORMATION WRITTEN ON FILE ./RESTART.1
YG> DENSITY WRITTEN TO FILE ./DENSITY
YG>
YG> ****************************************************************
YG> * *
YG> * FINAL RESULTS *
YG> * *
YG> ****************************************************************
YG>
YG> ATOM COORDINATES GRADIENTS (-FORCES)
YG> 1 Au 8.6119 10.5919 7.3712 -2.086E-02 1.128E-02 3.680E-03
YG> 2 Au 6.5060 4.5259 7.7466 2.047E-02 -1.151E-02 -3.616E-03
YG>
YG> ****************************************************************
YG>
YG>
YG> ELECTRONIC GRADIENT:
YG> MAX. COMPONENT = 2.12752E-06 NORM = 1.33338E-07
YG> NUCLEAR GRADIENT:
YG> MAX. COMPONENT = 2.08582E-02 NORM = 1.37869E-02
YG>
YG>
YG> TOTAL INTEGRATED ELECTRONIC DENSITY
YG> IN G-SPACE = 22.000000
YG> IN R-SPACE = 22.000000
YG>
YG>
YG> VANDERBILT AUGMENTATION CHARGES (MEAN VALUE PER ATOM)
YG> ATOM TYPE NR. OF ATOMS CHARGE
YG> Au 2 2.989
YG>
YG> (K+E1+L+N+X) TOTAL ENERGY = -71.37570921 A.U.
YG> (K) KINETIC ENERGY = 9.96017820 A.U.
YG> (E1=A-S+R) ELECTROSTATIC ENERGY = -75.01998936 A.U.
YG> (S) ESELF = 80.45335988 A.U.
YG> (R) ESR = 0.00000157 A.U.
YG> (L) LOCAL PSEUDOPOTENTIAL ENERGY = 31.60118695 A.U.
YG> (N) N-L PSEUDOPOTENTIAL ENERGY = -24.03266576 A.U.
YG> (X) EXCHANGE-CORRELATION ENERGY = -13.88441923 A.U.
YG> GRADIENT CORRECTION ENERGY = 0.01582107 A.U.
YG>
YG> ****************************************************************
YG>
YG>
YG> ================================================================
YG> BIG MEMORY ALLOCATIONS
YG> SCR 1766222 SCR 1766216
YG> YLMB 1478325 SCR 1114753
YG> PSI 1098500 QRL 903600
YG> XF 549250 YF 549250
YG> RHOE 274625 HGPOT 274625
YG> ----------------------------------------------------------------
YG> [PEAK NUMBER 107] PEAK MEMORY 8568493 = 68.5 MBytes
YG> ================================================================
YG>
YG>
YG> ****************************************************************
YG> * *
YG> * TIMING *
YG> * *
YG> ****************************************************************
YG> SUBROUTINE CALLS CPU TIME ELAPSED TIME
YG> RHOV 10001 2696.18 2735.50
YG> HIP 10001 2688.94 2730.54
YG> NEWD 10001 2572.46 2606.66
YG> GCENER 10150 2411.98 2446.98
YG> FWFFT 70753 1955.35 1983.73
YG> INVFFT 70604 1770.11 1796.58
YG> S_INVFFT 120012 1611.24 1631.97
YG> FFT-G/S 360036 1181.21 1198.60
YG> S_FWFFT 60006 937.43 952.64
YG> VPSI 10002 625.46 637.39
YG> RHOOFR 10001 585.01 597.16
YG> RNLSM1 20152 424.59 698.71
YG> XCENER 10150 386.14 392.24
YG> PHASE 141357 379.77 385.84
YG> GRADEN 10150 368.01 373.76
YG> NLFORCE 10000 294.59 298.43
YG> VOFRHOH 10001 239.94 243.15
YG> VOFRHOB 10001 212.65 215.08
YG> RNLSM2 2353 154.26 248.11
YG> COREC 10150 143.63 145.63
YG> OVLAP 20149 72.21 103.80
YG> EICALC 10001 62.36 63.50
YG> PCGRAD 10000 45.82 46.28
YG> FORCES 10000 38.81 39.82
YG> ROTATE 10000 31.70 32.48
YG> RGSVAN 10148 31.07 31.46
YG> ----------------------------------------------------------------
YG> TOTAL TIME 21920.92 22636.03
YG> ****************************************************************
YG>
YG> CPU TIME : 6 HOURS 5 MINUTES 44.65 SECONDS
YG> ELAPSED TIME : 6 HOURS 17 MINUTES 43.15 SECONDS
YG>
YG> PROGRAM CPMD ENDED AT: Fri Nov 19 06:13:31 2004
YG> ________________
YG> Yvan Girard
YG>
YG> Institute for Materials Chemistry and Engineering
YG> Kyushu University
YG> Fukuoka 812-8581, Japan
YG>
YG> http://trout.scc.kyushu-u.ac.jp/yoshizawaJ/Yoshizawa-lab-Eng/index-eng.htm
YG>
--
=======================================================================
Dr. Axel Kohlmeyer e-mail: axel.kohlmeyer at theochem.ruhr-uni-bochum.de
Lehrstuhl fuer Theoretische Chemie Phone: ++49 (0)234/32-26673
Ruhr-Universitaet Bochum - NC 03/53 Fax: ++49 (0)234/32-14045
D-44780 Bochum http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.
-------------- next part --------------
&CPMD
MOLECULAR DYNAMICS CP
TIMESTEP
4.0
EMASS
1000.0
MAXSTEP
200
ANNEALING ELECTRONS
0.95
MEMORY BIG
&END
&DFT
FUNCTIONAL LDA
&END
&SYSTEM
SYMMETRY
1
ANGSTROM
CELL
10.0 1.0 1.0 0.0 0.0 0.0
DUAL
6.0
CUTOFF
24.
&END
&ATOMS
CONSTRAINTS
FIX ATOMS
2 1 2
END CONSTRAINTS
*Au_VDB_LDA.psp FORMATTED
LMAX=D
2
-1.30 0.0 0.0
1.30 0.0 0.0
&END
-------------- next part --------------
7 3 4 27 11 4
gold 79.000000000 11.000000000 0.000000000
3 939 -6.70393222119E+01
600 1.000000000 -0.539224706
610 0.500000000 -0.123742864
520 9.500000000 -0.675534928
3 0 1.600000000
3 -1 0.00000 0 3 10.00000
1.60000000000E+00 1.80000000000E+00 1.60000000000E+00 1.60000000000E+00
1.80000000000E+00
2
2.40000000000E+00 2.70000000000E+00 2.00000000000E+00
6 777
0
-2.00000000000E-01 0.00000000000E+00 -1.37975412917E-08 2.83674645326E-08
2.87326595967E-07 2.04269354990E-07 3.41590826864E-07 3.60685610806E-07
6.05298199733E-07 3.59132329033E-07 5.66619584442E-07 9.57156972625E-08
7.68336023483E-07 6.89541842012E-07 7.78709240969E-07 -1.28341091978E-07
1.23782285795E-06 7.25046384917E-07 5.07541182570E-07 1.53596992616E-07
1.36460825435E-06 5.21935350417E-07 5.97133726724E-07 4.79056905611E-07
6.55485483879E-07 9.08015937300E-07 3.71740222139E-07 1.00742816570E-06
2.71708590563E-07 6.76033366556E-07 9.67454113862E-07 1.27771898854E-08
1.11404097463E-06 1.68942060018E-07 7.25463938486E-07 3.63085230217E-09
1.39880105586E-06 -3.46713518290E-07 6.82990394560E-07 3.54403644799E-07
2.64929525449E-07 5.51083150611E-07 4.18051730629E-07 2.47691238574E-07
4.29742438176E-08 1.89861460364E-07 1.23675918467E-07 2.38080678061E-07
-2.40527900636E-07 5.28415667645E-07 -8.58456667893E-08 -4.74425041874E-08
-3.02545205184E-07 -2.60071427569E-07 4.89791899274E-07 -8.55570361501E-07
3.16731519195E-07 -1.01385301501E-06 4.13048462086E-07 -9.08122114847E-07
-4.18439207700E-07 -1.85771226131E-07 -7.30982002591E-07 -8.61053960415E-07
-1.52652659070E-07 -8.85543268554E-07 -1.04210181748E-06 -3.85923631471E-07
-1.53892373054E-06 -2.32484521908E-07 -1.34990714697E-06 -9.81264490799E-07
-1.21134223763E-06 -1.02955681600E-06 -1.41959196396E-06 -1.44189022331E-06
-9.19537221885E-07 -1.92225271644E-06 -1.12863104786E-06 -1.73123713239E-06
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