From ca812c0faccde8b6dd8aac512d8d4b00b98c5c30 Mon Sep 17 00:00:00 2001 From: Pietro Delugas Date: Sat, 2 Nov 2019 21:30:31 +0100 Subject: [PATCH] [skip ci] add test for pbe noncolin magnetic case modified: jobconfig new file: pw_noncolin/benchmark.out.git.inp=noncolin-pbe.in new file: pw_noncolin/noncolin-pbe.in --- test-suite/jobconfig | 2 +- .../benchmark.out.git.inp=noncolin-pbe.in | 463 ++++++++++++++++++ test-suite/pw_noncolin/noncolin-pbe.in | 34 ++ 3 files changed, 498 insertions(+), 1 deletion(-) create mode 100644 test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-pbe.in create mode 100644 test-suite/pw_noncolin/noncolin-pbe.in diff --git a/test-suite/jobconfig b/test-suite/jobconfig index f2bd4c306..9da27c898 100644 --- a/test-suite/jobconfig +++ b/test-suite/jobconfig @@ -24,7 +24,7 @@ inputs_args = ('metal.in' ,''), ('metal-2.in' ,''), ('metal-fermi_dirac.in' ,'') [pw_noncolin/] program = PW -inputs_args = ('noncolin.in' ,''), ('noncolin-1.in' ,''), ('noncolin-2.in' ,''), ('noncolin-cg.in' ,''), ('noncolin-constrain_angle.in' ,''), ('noncolin-constrain_atomic.in' ,''), ('noncolin-constrain_total.in' ,''), ('noncolin-hyb.in' ,'') +inputs_args = ('noncolin.in' ,''), ('noncolin-1.in' ,''), ('noncolin-2.in' ,''), ('noncolin-cg.in' ,''), ('noncolin-constrain_angle.in' ,''), ('noncolin-constrain_atomic.in' ,''), ('noncolin-constrain_total.in' ,''), ('noncolin-hyb.in' ,''), ('noncolin-pbe.in','') [pw_pawatom/] program = PW diff --git a/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-pbe.in b/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-pbe.in new file mode 100644 index 000000000..5ac4be953 --- /dev/null +++ b/test-suite/pw_noncolin/benchmark.out.git.inp=noncolin-pbe.in @@ -0,0 +1,463 @@ + + Program PWSCF v.6.4.1 starts on 2Nov2019 at 21:15: 5 + + This program is part of the open-source Quantum ESPRESSO suite + for quantum simulation of materials; please cite + "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); + "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017); + URL http://www.quantum-espresso.org", + in publications or presentations arising from this work. More details at + http://www.quantum-espresso.org/quote + + Parallel version (MPI), running on 4 processors + + MPI processes distributed on 1 nodes + R & G space division: proc/nbgrp/npool/nimage = 4 + Waiting for input... + Reading input from standard input + + Current dimensions of program PWSCF are: + Max number of different atomic species (ntypx) = 10 + Max number of k-points (npk) = 40000 + Max angular momentum in pseudopotentials (lmaxx) = 3 + file Fe.pbe-nd-rrkjus.UPF: wavefunction(s) 4S renormalized + + Fixed quantization axis for GGA: 1.000000 0.000000 0.000000 + + Subspace diagonalization in iterative solution of the eigenvalue problem: + a serial algorithm will be used + + + Parallelization info + -------------------- + sticks: dense smooth PW G-vecs: dense smooth PW + Min 76 38 13 841 301 62 + Max 77 39 14 842 302 63 + Sum 307 155 55 3367 1205 249 + + + + bravais-lattice index = 3 + lattice parameter (alat) = 5.2170 a.u. + unit-cell volume = 70.9958 (a.u.)^3 + number of atoms/cell = 1 + number of atomic types = 1 + number of electrons = 8.00 + number of Kohn-Sham states= 16 + kinetic-energy cutoff = 25.0000 Ry + charge density cutoff = 200.0000 Ry + convergence threshold = 1.0E-08 + mixing beta = 0.2000 + number of iterations used = 8 plain mixing + Exchange-correlation= SLA PW PBE PBE + ( 1 4 3 4 0 0 0) + Noncollinear calculation without spin-orbit + + + celldm(1)= 5.217000 celldm(2)= 0.000000 celldm(3)= 0.000000 + celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 + + crystal axes: (cart. coord. in units of alat) + a(1) = ( 0.500000 0.500000 0.500000 ) + a(2) = ( -0.500000 0.500000 0.500000 ) + a(3) = ( -0.500000 -0.500000 0.500000 ) + + reciprocal axes: (cart. coord. in units 2 pi/alat) + b(1) = ( 1.000000 0.000000 1.000000 ) + b(2) = ( -1.000000 1.000000 0.000000 ) + b(3) = ( 0.000000 -1.000000 1.000000 ) + + + PseudoPot. # 1 for Fe read from file: + /home/pietro/repositories/q-e_gitlab/test-suite/..//pseudo/Fe.pbe-nd-rrkjus.UPF + MD5 check sum: 3cae1d5f116da51a7024c0f8e103d580 + Pseudo is Ultrasoft + core correction, Zval = 8.0 + Generated by new atomic code, or converted to UPF format + Using radial grid of 957 points, 6 beta functions with: + l(1) = 0 + l(2) = 0 + l(3) = 1 + l(4) = 1 + l(5) = 2 + l(6) = 2 + Q(r) pseudized with 0 coefficients + + + atomic species valence mass pseudopotential + Fe 8.00 55.84700 Fe( 1.00) + + 16 Sym. Ops., with inversion, found + + + + Cartesian axes + + site n. atom positions (alat units) + 1 Fe tau( 1) = ( 0.0000000 0.0000000 0.0000000 ) + + number of k points= 22 Marzari-Vanderbilt smearing, width (Ry)= 0.0500 + cart. coord. in units 2pi/alat + k( 1) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0270270 + k( 2) = ( 0.0625000 0.0625000 0.1875000), wk = 0.0540541 + k( 3) = ( 0.0625000 0.0625000 0.3125000), wk = 0.0540541 + k( 4) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0540541 + k( 5) = ( 0.0625000 0.0625000 0.5625000), wk = 0.0540541 + k( 6) = ( 0.0625000 0.0625000 0.6875000), wk = 0.0540541 + k( 7) = ( 0.0625000 0.0625000 0.8125000), wk = 0.0540541 + k( 8) = ( 0.0625000 0.0625000 0.9375000), wk = 0.0810811 + k( 9) = ( 0.0625000 0.1875000 0.1875000), wk = 0.0270270 + k( 10) = ( 0.0625000 0.1875000 0.3125000), wk = 0.0540541 + k( 11) = ( 0.0625000 0.1875000 0.4375000), wk = 0.0540541 + k( 12) = ( 0.1875000 0.0625000 0.0625000), wk = 0.0270270 + k( 13) = ( 0.3125000 0.0625000 0.0625000), wk = 0.0270270 + k( 14) = ( 0.4375000 0.0625000 0.0625000), wk = 0.0270270 + k( 15) = ( 0.5625000 0.0625000 0.0625000), wk = 0.0270270 + k( 16) = ( 0.6875000 0.0625000 0.0625000), wk = 0.0270270 + k( 17) = ( 0.8125000 0.0625000 0.0625000), wk = 0.0270270 + k( 18) = ( 0.1875000 0.1875000 0.0625000), wk = 0.0540541 + k( 19) = ( 0.1875000 0.3125000 0.0625000), wk = 0.0540541 + k( 20) = ( 0.3125000 0.0625000 0.1875000), wk = 0.0540541 + k( 21) = ( 0.1875000 0.4375000 0.0625000), wk = 0.0540541 + k( 22) = ( 0.4375000 0.0625000 0.1875000), wk = 0.0540541 + + Dense grid: 3367 G-vectors FFT dimensions: ( 24, 24, 24) + + Smooth grid: 1205 G-vectors FFT dimensions: ( 15, 15, 15) + + Estimated max dynamical RAM per process > 5.76 MB + + Estimated total dynamical RAM > 23.04 MB + Generating pointlists ... + new r_m : 0.3572 (alat units) 1.8637 (a.u.) for type 1 + + Check: negative core charge= -0.000014 + + Initial potential from superposition of free atoms + + starting charge 7.99937, renormalised to 8.00000 + + ============================================================================== + atom number 1 relative position : 0.0000 0.0000 0.0000 + charge : 6.666930 + magnetization : 3.333465 0.000000 0.000000 + magnetization/charge: 0.500000 0.000000 0.000000 + polar coord.: r, theta, phi [deg] : 3.333465 90.000000 0.000000 + + ============================================================================== + Starting wfcs are 12 randomized atomic wfcs + 4 random wfcs + + total cpu time spent up to now is 0.7 secs + + Self-consistent Calculation + + iteration # 1 ecut= 25.00 Ry beta= 0.20 + Davidson diagonalization with overlap + ethr = 1.00E-02, avg # of iterations = 4.5 + + total cpu time spent up to now is 1.0 secs + + total energy = -55.92298455 Ry + Harris-Foulkes estimate = -55.96033530 Ry + estimated scf accuracy < 0.18186669 Ry + + total magnetization = 3.20 0.00 -0.00 Bohr mag/cell + absolute magnetization = 3.20 Bohr mag/cell + + iteration # 2 ecut= 25.00 Ry beta= 0.20 + Davidson diagonalization with overlap + ethr = 2.27E-03, avg # of iterations = 1.0 + + total cpu time spent up to now is 1.2 secs + + total energy = -55.91677376 Ry + Harris-Foulkes estimate = -55.93158195 Ry + estimated scf accuracy < 0.05934499 Ry + + total magnetization = 3.30 0.00 -0.00 Bohr mag/cell + absolute magnetization = 3.30 Bohr mag/cell + + iteration # 3 ecut= 25.00 Ry beta= 0.20 + Davidson diagonalization with overlap + ethr = 7.42E-04, avg # of iterations = 2.0 + + total cpu time spent up to now is 1.5 secs + + total energy = -55.93682237 Ry + Harris-Foulkes estimate = -55.92901715 Ry + estimated scf accuracy < 0.00463870 Ry + + total magnetization = 3.41 -0.00 0.00 Bohr mag/cell + absolute magnetization = 3.41 Bohr mag/cell + + iteration # 4 ecut= 25.00 Ry beta= 0.20 + Davidson diagonalization with overlap + ethr = 5.80E-05, avg # of iterations = 4.3 + + total cpu time spent up to now is 1.8 secs + + total energy = -55.93872798 Ry + Harris-Foulkes estimate = -55.93799991 Ry + estimated scf accuracy < 0.00081267 Ry + + total magnetization = 3.45 0.00 -0.00 Bohr mag/cell + absolute magnetization = 3.45 Bohr mag/cell + + iteration # 5 ecut= 25.00 Ry beta= 0.20 + Davidson diagonalization with overlap + ethr = 1.02E-05, avg # of iterations = 3.8 + + total cpu time spent up to now is 2.1 secs + + total energy = -55.93926471 Ry + Harris-Foulkes estimate = -55.93910259 Ry + estimated scf accuracy < 0.00007742 Ry + + total magnetization = 3.46 0.00 0.00 Bohr mag/cell + absolute magnetization = 3.47 Bohr mag/cell + + iteration # 6 ecut= 25.00 Ry beta= 0.20 + Davidson diagonalization with overlap + ethr = 9.68E-07, avg # of iterations = 2.8 + + total cpu time spent up to now is 2.3 secs + + total energy = -55.93932465 Ry + Harris-Foulkes estimate = -55.93928137 Ry + estimated scf accuracy < 0.00003377 Ry + + total magnetization = 3.47 0.00 -0.00 Bohr mag/cell + absolute magnetization = 3.47 Bohr mag/cell + + iteration # 7 ecut= 25.00 Ry beta= 0.20 + Davidson diagonalization with overlap + ethr = 4.22E-07, avg # of iterations = 2.1 + + total cpu time spent up to now is 2.6 secs + + total energy = -55.93937638 Ry + Harris-Foulkes estimate = -55.93933631 Ry + estimated scf accuracy < 0.00000125 Ry + + total magnetization = 3.47 0.00 -0.00 Bohr mag/cell + absolute magnetization = 3.48 Bohr mag/cell + + iteration # 8 ecut= 25.00 Ry beta= 0.20 + Davidson diagonalization with overlap + ethr = 1.56E-08, avg # of iterations = 3.6 + + total cpu time spent up to now is 2.9 secs + + total energy = -55.93940251 Ry + Harris-Foulkes estimate = -55.93937691 Ry + estimated scf accuracy < 0.00000052 Ry + + total magnetization = 3.47 -0.00 0.00 Bohr mag/cell + absolute magnetization = 3.48 Bohr mag/cell + + iteration # 9 ecut= 25.00 Ry beta= 0.20 + Davidson diagonalization with overlap + ethr = 6.51E-09, avg # of iterations = 2.2 + + ============================================================================== + atom number 1 relative position : 0.0000 0.0000 0.0000 + charge : 6.405375 + magnetization : 3.359704 0.000000 -0.000000 + magnetization/charge: 0.524513 0.000000 -0.000000 + polar coord.: r, theta, phi [deg] : 3.359704 90.000000 0.000000 + + ============================================================================== + + total cpu time spent up to now is 3.1 secs + + End of self-consistent calculation + + k = 0.0625 0.0625 0.0625 ( 141 PWs) bands (ev): + + 6.1266 6.8373 11.8884 11.8884 12.1117 13.7678 13.7678 15.5894 + 15.5894 15.8556 17.2871 17.2872 39.1995 39.1995 39.6824 39.6825 + + k = 0.0625 0.0625 0.1875 ( 148 PWs) bands (ev): + + 6.7904 7.5122 11.7953 11.8747 12.4074 13.4752 13.9043 15.4453 + 15.5080 16.1808 16.9151 17.4680 36.6975 37.4526 38.2843 39.0900 + + k = 0.0625 0.0625 0.3125 ( 152 PWs) bands (ev): + + 7.9854 8.7604 11.8347 11.8789 12.8215 12.9642 14.1626 15.3421 + 15.4192 16.3296 16.6405 17.7503 34.2882 35.3458 35.9081 37.0883 + + k = 0.0625 0.0625 0.4375 ( 156 PWs) bands (ev): + + 9.3485 10.3337 11.7486 12.0582 12.5616 13.3115 14.7166 14.7945 + 15.5894 16.0806 17.1986 18.1269 32.1451 33.1339 33.5404 34.5309 + + k = 0.0625 0.0625 0.5625 ( 148 PWs) bands (ev): + + 10.2298 11.1400 11.7345 12.4138 12.7929 13.8011 13.8913 15.9621 + 16.1585 16.4018 17.7642 18.9589 30.0223 30.5109 31.6573 32.0509 + + k = 0.0625 0.0625 0.6875 ( 146 PWs) bands (ev): + + 10.2921 10.4532 12.3543 12.9339 13.0240 13.3785 14.2471 16.5504 + 17.0822 18.2850 18.7130 20.7866 27.8597 28.1548 29.4929 29.6932 + + k = 0.0625 0.0625 0.8125 ( 144 PWs) bands (ev): + + 9.9198 9.9305 12.2546 12.3725 13.6282 14.0757 14.5510 17.3945 + 17.9627 18.6516 21.9127 23.4937 25.9787 26.2578 27.4321 27.6539 + + k = 0.0625 0.0625 0.9375 ( 143 PWs) bands (ev): + + 9.6328 9.6328 12.0268 12.0268 14.2575 14.5899 14.5899 18.2322 + 18.6906 18.6906 24.8369 24.8369 25.2262 26.0681 26.0681 26.4453 + + k = 0.0625 0.1875 0.1875 ( 151 PWs) bands (ev): + + 7.3992 8.1518 11.5375 11.7967 12.8782 13.5477 13.8278 15.1235 + 15.2688 16.6969 17.0698 17.3769 34.3870 35.5006 37.1740 37.8635 + + k = 0.0625 0.1875 0.3125 ( 152 PWs) bands (ev): + + 8.4364 9.3143 11.3991 11.8086 13.3085 13.4353 14.0466 14.8953 + 14.9978 16.8468 17.3075 17.6259 31.5847 32.9852 35.3551 36.2337 + + k = 0.0625 0.1875 0.4375 ( 153 PWs) bands (ev): + + 9.4844 10.7334 11.4311 11.8385 13.1082 13.8995 14.5046 14.7664 + 15.0044 16.6682 17.8136 18.1588 29.0207 30.6648 33.0313 34.2309 + + k = 0.1875 0.0625 0.0625 ( 148 PWs) bands (ev): + + 6.7904 7.5122 11.7953 11.8747 12.4074 13.4752 13.9043 15.4453 + 15.5080 16.1808 16.9151 17.4680 36.6975 37.4526 38.2843 39.0900 + + k = 0.3125 0.0625 0.0625 ( 152 PWs) bands (ev): + + 7.9854 8.7604 11.8347 11.8789 12.8215 12.9642 14.1626 15.3421 + 15.4192 16.3296 16.6405 17.7503 34.2882 35.3458 35.9081 37.0883 + + k = 0.4375 0.0625 0.0625 ( 156 PWs) bands (ev): + + 9.3485 10.3337 11.7486 12.0582 12.5616 13.3115 14.7166 14.7945 + 15.5894 16.0806 17.1986 18.1269 32.1451 33.1339 33.5404 34.5309 + + k = 0.5625 0.0625 0.0625 ( 148 PWs) bands (ev): + + 10.2298 11.1400 11.7345 12.4138 12.7929 13.8011 13.8913 15.9621 + 16.1585 16.4018 17.7641 18.9589 30.0223 30.5109 31.6573 32.0509 + + k = 0.6875 0.0625 0.0625 ( 146 PWs) bands (ev): + + 10.2921 10.4532 12.3543 12.9339 13.0240 13.3785 14.2471 16.5504 + 17.0823 18.2850 18.7130 20.7866 27.8597 28.1548 29.4929 29.6932 + + k = 0.8125 0.0625 0.0625 ( 144 PWs) bands (ev): + + 9.9198 9.9305 12.2546 12.3725 13.6282 14.0757 14.5510 17.3945 + 17.9627 18.6516 21.9127 23.4937 25.9787 26.2578 27.4321 27.6539 + + k = 0.1875 0.1875 0.0625 ( 151 PWs) bands (ev): + + 7.3992 8.1518 11.5375 11.7967 12.8782 13.5477 13.8278 15.1235 + 15.2688 16.6969 17.0698 17.3769 34.3870 35.5005 37.1740 37.8635 + + k = 0.1875 0.3125 0.0625 ( 152 PWs) bands (ev): + + 8.4364 9.3143 11.3991 11.8086 13.3085 13.4354 14.0466 14.8953 + 14.9978 16.8468 17.3075 17.6259 31.5847 32.9852 35.3551 36.2337 + + k = 0.3125 0.0625 0.1875 ( 152 PWs) bands (ev): + + 8.4364 9.3143 11.3991 11.8086 13.3085 13.4354 14.0466 14.8953 + 14.9978 16.8468 17.3075 17.6259 31.5846 32.9852 35.3551 36.2337 + + k = 0.1875 0.4375 0.0625 ( 153 PWs) bands (ev): + + 9.4844 10.7334 11.4311 11.8385 13.1082 13.8995 14.5046 14.7664 + 15.0044 16.6682 17.8136 18.1588 29.0207 30.6648 33.0313 34.2309 + + k = 0.4375 0.0625 0.1875 ( 153 PWs) bands (ev): + + 9.4844 10.7334 11.4311 11.8385 13.1082 13.8995 14.5046 14.7664 + 15.0044 16.6682 17.8136 18.1588 29.0207 30.6648 33.0313 34.2309 + + the Fermi energy is 15.4006 ev + +! total energy = -55.93944565 Ry + Harris-Foulkes estimate = -55.93940263 Ry + estimated scf accuracy < 2.4E-09 Ry + + The total energy is the sum of the following terms: + + one-electron contribution = 9.20194523 Ry + hartree contribution = 6.18133996 Ry + xc contribution = -26.68129347 Ry + ewald contribution = -44.64461207 Ry + smearing contrib. (-TS) = 0.00317469 Ry + + total magnetization = 3.47 0.00 -0.00 Bohr mag/cell + absolute magnetization = 3.48 Bohr mag/cell + + convergence has been achieved in 9 iterations + + + Computing stress (Cartesian axis) and pressure + + Message from routine stres: + noncollinear stress + GGA not implemented + + Writing output data file ./pwscf.save/ + + init_run : 0.17s CPU 0.19s WALL ( 1 calls) + electrons : 2.14s CPU 2.43s WALL ( 1 calls) + + Called by init_run: + wfcinit : 0.05s CPU 0.06s WALL ( 1 calls) + potinit : 0.01s CPU 0.01s WALL ( 1 calls) + hinit0 : 0.09s CPU 0.10s WALL ( 1 calls) + + Called by electrons: + c_bands : 1.66s CPU 1.89s WALL ( 9 calls) + sum_band : 0.34s CPU 0.36s WALL ( 9 calls) + v_of_rho : 0.10s CPU 0.11s WALL ( 10 calls) + newd : 0.04s CPU 0.05s WALL ( 10 calls) + mix_rho : 0.01s CPU 0.01s WALL ( 9 calls) + + Called by c_bands: + init_us_2 : 0.01s CPU 0.01s WALL ( 418 calls) + cegterg : 1.63s CPU 1.86s WALL ( 198 calls) + + Called by sum_band: + sum_band:bec : 0.02s CPU 0.02s WALL ( 198 calls) + addusdens : 0.10s CPU 0.11s WALL ( 9 calls) + + Called by *egterg: + h_psi : 0.83s CPU 0.95s WALL ( 802 calls) + s_psi : 0.04s CPU 0.05s WALL ( 802 calls) + g_psi : 0.00s CPU 0.00s WALL ( 582 calls) + cdiaghg : 0.53s CPU 0.60s WALL ( 780 calls) + + Called by h_psi: + h_psi:calbec : 0.05s CPU 0.06s WALL ( 802 calls) + vloc_psi : 0.73s CPU 0.83s WALL ( 802 calls) + add_vuspsi : 0.05s CPU 0.06s WALL ( 802 calls) + + General routines + calbec : 0.07s CPU 0.08s WALL ( 1000 calls) + fft : 0.04s CPU 0.04s WALL ( 356 calls) + ffts : 0.00s CPU 0.00s WALL ( 76 calls) + fftw : 0.70s CPU 0.79s WALL ( 38832 calls) + interpolate : 0.01s CPU 0.01s WALL ( 40 calls) + + Parallel routines + fft_scatt_xy : 0.12s CPU 0.13s WALL ( 39264 calls) + fft_scatt_yz : 0.28s CPU 0.32s WALL ( 39264 calls) + + PWSCF : 2.81s CPU 3.14s WALL + + + This run was terminated on: 21:15: 8 2Nov2019 + +=------------------------------------------------------------------------------= + JOB DONE. +=------------------------------------------------------------------------------= diff --git a/test-suite/pw_noncolin/noncolin-pbe.in b/test-suite/pw_noncolin/noncolin-pbe.in new file mode 100644 index 000000000..1f5fece3d --- /dev/null +++ b/test-suite/pw_noncolin/noncolin-pbe.in @@ -0,0 +1,34 @@ + &control + calculation='scf' + tstress=.true. + / + &system + ibrav = 3, celldm(1) =5.217, nat= 1, ntyp= 1, + ecutwfc = 25.0,ecutrho = 200.0, + occupations='smearing', smearing='marzari-vanderbilt', degauss=0.05 + noncolin = .true. + starting_magnetization(1) = 0.5 + angle1(1) = 90.0 + angle2(1) = 0.0 + / + &electrons + mixing_beta = 0.2 + conv_thr=1.0e-8 + / +ATOMIC_SPECIES + Fe 55.847 Fe.pbe-nd-rrkjus.UPF +ATOMIC_POSITIONS (alat) + Fe 0.0 0.0 0.0 +K_POINTS + 11 + 0.0625000 0.0625000 0.0625000 1.00 + 0.0625000 0.0625000 0.1875000 3.00 + 0.0625000 0.0625000 0.3125000 3.00 + 0.0625000 0.0625000 0.4375000 3.00 + 0.0625000 0.0625000 0.5625000 3.00 + 0.0625000 0.0625000 0.6875000 3.00 + 0.0625000 0.0625000 0.8125000 3.00 + 0.0625000 0.0625000 0.9375000 3.00 + 0.0625000 0.1875000 0.1875000 3.00 + 0.0625000 0.1875000 0.3125000 6.00 + 0.0625000 0.1875000 0.4375000 6.00