mirror of https://gitlab.com/QEF/q-e.git
3926 lines
292 KiB
Plaintext
3926 lines
292 KiB
Plaintext
<PP_INFO>
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Translated from O_HSCV_PBE-1.0.xml using qso2upf
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PSGen-1.6.0 pseudopotential: HSCV O xc=PBE
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Generated by PSGen-1.6.0 on 2009-02-15T02:25:11Z
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psgen arguments:
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-element O -xc PBE -smooth_v -bound l=0:rc=0.8 -bound l=1:rc=0.8
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</PP_INFO>
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<PP_HEADER>
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0 Version Number
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O Element
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NC Norm - Conserving pseudopotential
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F Nonlinear Core Corretion
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SLA PW PBE PBE PBE Exchange-Correlation functional
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6.0000000000 Z valence
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0.00000000000 Total energy
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0.0000000 0.0000000 Suggested cutoff for wfc and rho
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1 Max angular momentum component
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2208 Number of points in mesh
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2 1 Number of Wavefunctions, Number of Projectors
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Wavefunctions nl l occ
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2S 0 2.0000000000
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2P 1 4.0000000000
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</PP_HEADER>
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<PP_MESH>
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<PP_R>
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0.00000000000e+00 1.00000000000e-02 2.00000000000e-02 3.00000000000e-02
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4.00000000000e-02 5.00000000000e-02 6.00000000000e-02 7.00000000000e-02
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8.00000000000e-02 9.00000000000e-02 1.00000000000e-01 1.10000000000e-01
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1.20000000000e-01 1.30000000000e-01 1.40000000000e-01 1.50000000000e-01
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1.60000000000e-01 1.70000000000e-01 1.80000000000e-01 1.90000000000e-01
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2.00000000000e-01 2.10000000000e-01 2.20000000000e-01 2.30000000000e-01
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2.40000000000e-01 2.50000000000e-01 2.60000000000e-01 2.70000000000e-01
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2.80000000000e-01 2.90000000000e-01 3.00000000000e-01 3.10000000000e-01
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3.20000000000e-01 3.30000000000e-01 3.40000000000e-01 3.50000000000e-01
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3.60000000000e-01 3.70000000000e-01 3.80000000000e-01 3.90000000000e-01
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4.00000000000e-01 4.10000000000e-01 4.20000000000e-01 4.30000000000e-01
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4.40000000000e-01 4.50000000000e-01 4.60000000000e-01 4.70000000000e-01
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4.80000000000e-01 4.90000000000e-01 5.00000000000e-01 5.10000000000e-01
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5.20000000000e-01 5.30000000000e-01 5.40000000000e-01 5.50000000000e-01
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5.60000000000e-01 5.70000000000e-01 5.80000000000e-01 5.90000000000e-01
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6.00000000000e-01 6.10000000000e-01 6.20000000000e-01 6.30000000000e-01
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6.40000000000e-01 6.50000000000e-01 6.60000000000e-01 6.70000000000e-01
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6.80000000000e-01 6.90000000000e-01 7.00000000000e-01 7.10000000000e-01
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7.20000000000e-01 7.30000000000e-01 7.40000000000e-01 7.50000000000e-01
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7.60000000000e-01 7.70000000000e-01 7.80000000000e-01 7.90000000000e-01
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8.00000000000e-01 8.10000000000e-01 8.20000000000e-01 8.30000000000e-01
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8.40000000000e-01 8.50000000000e-01 8.60000000000e-01 8.70000000000e-01
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8.80000000000e-01 8.90000000000e-01 9.00000000000e-01 9.10000000000e-01
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9.20000000000e-01 9.30000000000e-01 9.40000000000e-01 9.50000000000e-01
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9.60000000000e-01 9.70000000000e-01 9.80000000000e-01 9.90000000000e-01
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1.00000000000e+00 1.01000000000e+00 1.02000000000e+00 1.03000000000e+00
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1.04000000000e+00 1.05000000000e+00 1.06000000000e+00 1.07000000000e+00
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1.08000000000e+00 1.09000000000e+00 1.10000000000e+00 1.11000000000e+00
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1.12000000000e+00 1.13000000000e+00 1.14000000000e+00 1.15000000000e+00
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1.16000000000e+00 1.17000000000e+00 1.18000000000e+00 1.19000000000e+00
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1.20000000000e+00 1.21000000000e+00 1.22000000000e+00 1.23000000000e+00
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1.24000000000e+00 1.25000000000e+00 1.26000000000e+00 1.27000000000e+00
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1.28000000000e+00 1.29000000000e+00 1.30000000000e+00 1.31000000000e+00
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1.32000000000e+00 1.33000000000e+00 1.34000000000e+00 1.35000000000e+00
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1.36000000000e+00 1.37000000000e+00 1.38000000000e+00 1.39000000000e+00
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1.40000000000e+00 1.41000000000e+00 1.42000000000e+00 1.43000000000e+00
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1.44000000000e+00 1.45000000000e+00 1.46000000000e+00 1.47000000000e+00
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1.48000000000e+00 1.49000000000e+00 1.50000000000e+00 1.51000000000e+00
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1.52000000000e+00 1.53000000000e+00 1.54000000000e+00 1.55000000000e+00
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1.56000000000e+00 1.57000000000e+00 1.58000000000e+00 1.59000000000e+00
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1.60000000000e+00 1.61000000000e+00 1.62000000000e+00 1.63000000000e+00
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1.64000000000e+00 1.65000000000e+00 1.66000000000e+00 1.67000000000e+00
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1.68000000000e+00 1.69000000000e+00 1.70000000000e+00 1.71000000000e+00
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1.72000000000e+00 1.73000000000e+00 1.74000000000e+00 1.75000000000e+00
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1.76000000000e+00 1.77000000000e+00 1.78000000000e+00 1.79000000000e+00
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1.80000000000e+00 1.81000000000e+00 1.82000000000e+00 1.83000000000e+00
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1.84000000000e+00 1.85000000000e+00 1.86000000000e+00 1.87000000000e+00
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1.88000000000e+00 1.89000000000e+00 1.90000000000e+00 1.91000000000e+00
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1.92000000000e+00 1.93000000000e+00 1.94000000000e+00 1.95000000000e+00
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1.96000000000e+00 1.97000000000e+00 1.98000000000e+00 1.99000000000e+00
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2.00000000000e+00 2.01000000000e+00 2.02000000000e+00 2.03000000000e+00
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2.04000000000e+00 2.05000000000e+00 2.06000000000e+00 2.07000000000e+00
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2.08000000000e+00 2.09000000000e+00 2.10000000000e+00 2.11000000000e+00
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2.12000000000e+00 2.13000000000e+00 2.14000000000e+00 2.15000000000e+00
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2.16000000000e+00 2.17000000000e+00 2.18000000000e+00 2.19000000000e+00
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2.20000000000e+00 2.21000000000e+00 2.22000000000e+00 2.23000000000e+00
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2.24000000000e+00 2.25000000000e+00 2.26000000000e+00 2.27000000000e+00
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2.28000000000e+00 2.29000000000e+00 2.30000000000e+00 2.31000000000e+00
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2.32000000000e+00 2.33000000000e+00 2.34000000000e+00 2.35000000000e+00
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2.36000000000e+00 2.37000000000e+00 2.38000000000e+00 2.39000000000e+00
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2.40000000000e+00 2.41000000000e+00 2.42000000000e+00 2.43000000000e+00
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2.44000000000e+00 2.45000000000e+00 2.46000000000e+00 2.47000000000e+00
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2.48000000000e+00 2.49000000000e+00 2.50000000000e+00 2.51000000000e+00
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2.52000000000e+00 2.53000000000e+00 2.54000000000e+00 2.55000000000e+00
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2.56000000000e+00 2.57000000000e+00 2.58000000000e+00 2.59000000000e+00
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2.60000000000e+00 2.61000000000e+00 2.62000000000e+00 2.63000000000e+00
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2.64000000000e+00 2.65000000000e+00 2.66000000000e+00 2.67000000000e+00
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2.68000000000e+00 2.69000000000e+00 2.70000000000e+00 2.71000000000e+00
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2.72000000000e+00 2.73000000000e+00 2.74000000000e+00 2.75000000000e+00
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2.76000000000e+00 2.77000000000e+00 2.78000000000e+00 2.79000000000e+00
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2.80000000000e+00 2.81000000000e+00 2.82000000000e+00 2.83000000000e+00
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2.84000000000e+00 2.85000000000e+00 2.86000000000e+00 2.87000000000e+00
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2.88000000000e+00 2.89000000000e+00 2.90000000000e+00 2.91000000000e+00
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2.92000000000e+00 2.93000000000e+00 2.94000000000e+00 2.95000000000e+00
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2.96000000000e+00 2.97000000000e+00 2.98000000000e+00 2.99000000000e+00
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3.00000000000e+00 3.01000000000e+00 3.02000000000e+00 3.03000000000e+00
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3.04000000000e+00 3.05000000000e+00 3.06000000000e+00 3.07000000000e+00
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3.08000000000e+00 3.09000000000e+00 3.10000000000e+00 3.11000000000e+00
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3.12000000000e+00 3.13000000000e+00 3.14000000000e+00 3.15000000000e+00
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3.16000000000e+00 3.17000000000e+00 3.18000000000e+00 3.19000000000e+00
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3.20000000000e+00 3.21000000000e+00 3.22000000000e+00 3.23000000000e+00
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3.24000000000e+00 3.25000000000e+00 3.26000000000e+00 3.27000000000e+00
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3.28000000000e+00 3.29000000000e+00 3.30000000000e+00 3.31000000000e+00
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3.32000000000e+00 3.33000000000e+00 3.34000000000e+00 3.35000000000e+00
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3.36000000000e+00 3.37000000000e+00 3.38000000000e+00 3.39000000000e+00
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3.40000000000e+00 3.41000000000e+00 3.42000000000e+00 3.43000000000e+00
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3.44000000000e+00 3.45000000000e+00 3.46000000000e+00 3.47000000000e+00
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3.48000000000e+00 3.49000000000e+00 3.50000000000e+00 3.51000000000e+00
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3.52000000000e+00 3.53000000000e+00 3.54000000000e+00 3.55000000000e+00
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3.56000000000e+00 3.57000000000e+00 3.58000000000e+00 3.59000000000e+00
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3.60000000000e+00 3.61000000000e+00 3.62000000000e+00 3.63000000000e+00
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3.64000000000e+00 3.65000000000e+00 3.66000000000e+00 3.67000000000e+00
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3.68000000000e+00 3.69000000000e+00 3.70000000000e+00 3.71000000000e+00
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3.72000000000e+00 3.73000000000e+00 3.74000000000e+00 3.75000000000e+00
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3.76000000000e+00 3.77000000000e+00 3.78000000000e+00 3.79000000000e+00
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3.80000000000e+00 3.81000000000e+00 3.82000000000e+00 3.83000000000e+00
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3.84000000000e+00 3.85000000000e+00 3.86000000000e+00 3.87000000000e+00
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3.88000000000e+00 3.89000000000e+00 3.90000000000e+00 3.91000000000e+00
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3.92000000000e+00 3.93000000000e+00 3.94000000000e+00 3.95000000000e+00
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3.96000000000e+00 3.97000000000e+00 3.98000000000e+00 3.99000000000e+00
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4.00000000000e+00 4.01000000000e+00 4.02000000000e+00 4.03000000000e+00
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4.04000000000e+00 4.05000000000e+00 4.06000000000e+00 4.07000000000e+00
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4.08000000000e+00 4.09000000000e+00 4.10000000000e+00 4.11000000000e+00
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4.12000000000e+00 4.13000000000e+00 4.14000000000e+00 4.15000000000e+00
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4.16000000000e+00 4.17000000000e+00 4.18000000000e+00 4.19000000000e+00
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4.20000000000e+00 4.21000000000e+00 4.22000000000e+00 4.23000000000e+00
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4.24000000000e+00 4.25000000000e+00 4.26000000000e+00 4.27000000000e+00
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4.28000000000e+00 4.29000000000e+00 4.30000000000e+00 4.31000000000e+00
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4.32000000000e+00 4.33000000000e+00 4.34000000000e+00 4.35000000000e+00
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4.36000000000e+00 4.37000000000e+00 4.38000000000e+00 4.39000000000e+00
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4.40000000000e+00 4.41000000000e+00 4.42000000000e+00 4.43000000000e+00
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4.44000000000e+00 4.45000000000e+00 4.46000000000e+00 4.47000000000e+00
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4.48000000000e+00 4.49000000000e+00 4.50000000000e+00 4.51000000000e+00
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4.52000000000e+00 4.53000000000e+00 4.54000000000e+00 4.55000000000e+00
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4.56000000000e+00 4.57000000000e+00 4.58000000000e+00 4.59000000000e+00
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4.60000000000e+00 4.61000000000e+00 4.62000000000e+00 4.63000000000e+00
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4.64000000000e+00 4.65000000000e+00 4.66000000000e+00 4.67000000000e+00
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4.68000000000e+00 4.69000000000e+00 4.70000000000e+00 4.71000000000e+00
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4.72000000000e+00 4.73000000000e+00 4.74000000000e+00 4.75000000000e+00
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4.76000000000e+00 4.77000000000e+00 4.78000000000e+00 4.79000000000e+00
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4.80000000000e+00 4.81000000000e+00 4.82000000000e+00 4.83000000000e+00
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4.84000000000e+00 4.85000000000e+00 4.86000000000e+00 4.87000000000e+00
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4.88000000000e+00 4.89000000000e+00 4.90000000000e+00 4.91000000000e+00
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4.92000000000e+00 4.93000000000e+00 4.94000000000e+00 4.95000000000e+00
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4.96000000000e+00 4.97000000000e+00 4.98000000000e+00 4.99000000000e+00
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5.00000000000e+00 5.01000000000e+00 5.02000000000e+00 5.03000000000e+00
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5.04000000000e+00 5.05000000000e+00 5.06000000000e+00 5.07000000000e+00
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5.08000000000e+00 5.09000000000e+00 5.10000000000e+00 5.11000000000e+00
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5.12000000000e+00 5.13000000000e+00 5.14000000000e+00 5.15000000000e+00
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5.16000000000e+00 5.17000000000e+00 5.18000000000e+00 5.19000000000e+00
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5.20000000000e+00 5.21000000000e+00 5.22000000000e+00 5.23000000000e+00
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5.24000000000e+00 5.25000000000e+00 5.26000000000e+00 5.27000000000e+00
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5.28000000000e+00 5.29000000000e+00 5.30000000000e+00 5.31000000000e+00
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5.32000000000e+00 5.33000000000e+00 5.34000000000e+00 5.35000000000e+00
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5.36000000000e+00 5.37000000000e+00 5.38000000000e+00 5.39000000000e+00
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5.40000000000e+00 5.41000000000e+00 5.42000000000e+00 5.43000000000e+00
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5.44000000000e+00 5.45000000000e+00 5.46000000000e+00 5.47000000000e+00
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5.48000000000e+00 5.49000000000e+00 5.50000000000e+00 5.51000000000e+00
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5.52000000000e+00 5.53000000000e+00 5.54000000000e+00 5.55000000000e+00
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5.56000000000e+00 5.57000000000e+00 5.58000000000e+00 5.59000000000e+00
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5.60000000000e+00 5.61000000000e+00 5.62000000000e+00 5.63000000000e+00
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5.64000000000e+00 5.65000000000e+00 5.66000000000e+00 5.67000000000e+00
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5.68000000000e+00 5.69000000000e+00 5.70000000000e+00 5.71000000000e+00
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5.72000000000e+00 5.73000000000e+00 5.74000000000e+00 5.75000000000e+00
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5.76000000000e+00 5.77000000000e+00 5.78000000000e+00 5.79000000000e+00
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5.80000000000e+00 5.81000000000e+00 5.82000000000e+00 5.83000000000e+00
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5.84000000000e+00 5.85000000000e+00 5.86000000000e+00 5.87000000000e+00
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5.88000000000e+00 5.89000000000e+00 5.90000000000e+00 5.91000000000e+00
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5.92000000000e+00 5.93000000000e+00 5.94000000000e+00 5.95000000000e+00
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5.96000000000e+00 5.97000000000e+00 5.98000000000e+00 5.99000000000e+00
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6.00000000000e+00 6.01000000000e+00 6.02000000000e+00 6.03000000000e+00
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6.04000000000e+00 6.05000000000e+00 6.06000000000e+00 6.07000000000e+00
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6.08000000000e+00 6.09000000000e+00 6.10000000000e+00 6.11000000000e+00
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6.12000000000e+00 6.13000000000e+00 6.14000000000e+00 6.15000000000e+00
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6.16000000000e+00 6.17000000000e+00 6.18000000000e+00 6.19000000000e+00
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6.20000000000e+00 6.21000000000e+00 6.22000000000e+00 6.23000000000e+00
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6.24000000000e+00 6.25000000000e+00 6.26000000000e+00 6.27000000000e+00
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6.28000000000e+00 6.29000000000e+00 6.30000000000e+00 6.31000000000e+00
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|
6.32000000000e+00 6.33000000000e+00 6.34000000000e+00 6.35000000000e+00
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6.36000000000e+00 6.37000000000e+00 6.38000000000e+00 6.39000000000e+00
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6.40000000000e+00 6.41000000000e+00 6.42000000000e+00 6.43000000000e+00
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6.44000000000e+00 6.45000000000e+00 6.46000000000e+00 6.47000000000e+00
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6.48000000000e+00 6.49000000000e+00 6.50000000000e+00 6.51000000000e+00
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6.52000000000e+00 6.53000000000e+00 6.54000000000e+00 6.55000000000e+00
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6.56000000000e+00 6.57000000000e+00 6.58000000000e+00 6.59000000000e+00
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6.60000000000e+00 6.61000000000e+00 6.62000000000e+00 6.63000000000e+00
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6.64000000000e+00 6.65000000000e+00 6.66000000000e+00 6.67000000000e+00
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6.68000000000e+00 6.69000000000e+00 6.70000000000e+00 6.71000000000e+00
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6.72000000000e+00 6.73000000000e+00 6.74000000000e+00 6.75000000000e+00
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6.76000000000e+00 6.77000000000e+00 6.78000000000e+00 6.79000000000e+00
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6.80000000000e+00 6.81000000000e+00 6.82000000000e+00 6.83000000000e+00
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|
6.84000000000e+00 6.85000000000e+00 6.86000000000e+00 6.87000000000e+00
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|
6.88000000000e+00 6.89000000000e+00 6.90000000000e+00 6.91000000000e+00
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6.92000000000e+00 6.93000000000e+00 6.94000000000e+00 6.95000000000e+00
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6.96000000000e+00 6.97000000000e+00 6.98000000000e+00 6.99000000000e+00
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|
7.00000000000e+00 7.01000000000e+00 7.02000000000e+00 7.03000000000e+00
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|
7.04000000000e+00 7.05000000000e+00 7.06000000000e+00 7.07000000000e+00
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7.08000000000e+00 7.09000000000e+00 7.10000000000e+00 7.11000000000e+00
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7.12000000000e+00 7.13000000000e+00 7.14000000000e+00 7.15000000000e+00
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7.16000000000e+00 7.17000000000e+00 7.18000000000e+00 7.19000000000e+00
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7.20000000000e+00 7.21000000000e+00 7.22000000000e+00 7.23000000000e+00
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7.24000000000e+00 7.25000000000e+00 7.26000000000e+00 7.27000000000e+00
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7.28000000000e+00 7.29000000000e+00 7.30000000000e+00 7.31000000000e+00
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7.32000000000e+00 7.33000000000e+00 7.34000000000e+00 7.35000000000e+00
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7.36000000000e+00 7.37000000000e+00 7.38000000000e+00 7.39000000000e+00
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7.40000000000e+00 7.41000000000e+00 7.42000000000e+00 7.43000000000e+00
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7.44000000000e+00 7.45000000000e+00 7.46000000000e+00 7.47000000000e+00
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7.48000000000e+00 7.49000000000e+00 7.50000000000e+00 7.51000000000e+00
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7.52000000000e+00 7.53000000000e+00 7.54000000000e+00 7.55000000000e+00
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7.56000000000e+00 7.57000000000e+00 7.58000000000e+00 7.59000000000e+00
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7.60000000000e+00 7.61000000000e+00 7.62000000000e+00 7.63000000000e+00
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7.64000000000e+00 7.65000000000e+00 7.66000000000e+00 7.67000000000e+00
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</PP_R>
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<PP_NONLOCAL>
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0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
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0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
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0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
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0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
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0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
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0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
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0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
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0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
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0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
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0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
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0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
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0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
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0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
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0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
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0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
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0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
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0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
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0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
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0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
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0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
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0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
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0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
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0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
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0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
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0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
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0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
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0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
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0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
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0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
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0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
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0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
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0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
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0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
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0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
0.00000000000e+00 0.00000000000e+00 0.00000000000e+00 0.00000000000e+00
|
|
</PP_BETA>
|
|
<PP_DIJ>
|
|
1 Number of nonzero Dij
|
|
1 1 4.40236907285e-01
|
|
</PP_DIJ>
|
|
</PP_NONLOCAL>
|
|
|
|
|
|
<PP_PSWFC>
|
|
NL 0 2.00000000000e+00 Wavefunction
|
|
0.00000000000e+00 1.34210900000e-02 2.68460400000e-02 4.02787200000e-02
|
|
5.37228800000e-02 6.71821500000e-02 8.06601600000e-02 9.41601500000e-02
|
|
1.07685360000e-01 1.21238640000e-01 1.34822800000e-01 1.48440050000e-01
|
|
1.62092520000e-01 1.75781840000e-01 1.89509460000e-01 2.03276400000e-01
|
|
2.17082880000e-01 2.30929190000e-01 2.44815120000e-01 2.58739530000e-01
|
|
2.72701200000e-01 2.86698510000e-01 3.00729000000e-01 3.14789960000e-01
|
|
3.28878000000e-01 3.42989250000e-01 3.57119620000e-01 3.71264040000e-01
|
|
3.85417200000e-01 3.99573600000e-01 4.13726400000e-01 4.27869440000e-01
|
|
4.41995200000e-01 4.56095970000e-01 4.70163560000e-01 4.84190000000e-01
|
|
4.98166560000e-01 5.12083330000e-01 5.25931780000e-01 5.39701500000e-01
|
|
5.53383200000e-01 5.66966040000e-01 5.80440000000e-01 5.93795170000e-01
|
|
6.07020040000e-01 6.20104500000e-01 6.33037740000e-01 6.45809140000e-01
|
|
6.58408320000e-01 6.70824210000e-01 6.83047000000e-01 6.95066250000e-01
|
|
7.06871880000e-01 7.18454220000e-01 7.29804060000e-01 7.40911050000e-01
|
|
7.51767520000e-01 7.62364170000e-01 7.72693400000e-01 7.82747690000e-01
|
|
7.92518400000e-01 8.02000550000e-01 8.11186300000e-01 8.20070370000e-01
|
|
8.28647680000e-01 8.36913350000e-01 8.44862700000e-01 8.52492590000e-01
|
|
8.59799480000e-01 8.66780070000e-01 8.73433400000e-01 8.79756740000e-01
|
|
8.85749760000e-01 8.91411760000e-01 8.96742360000e-01 9.01741500000e-01
|
|
9.06410960000e-01 9.10750610000e-01 9.14763720000e-01 9.18450840000e-01
|
|
9.21814400000e-01 9.24857190000e-01 9.27582360000e-01 9.29993420000e-01
|
|
9.32092560000e-01 9.33883950000e-01 9.35371260000e-01 9.36559350000e-01
|
|
9.37451680000e-01 9.38053770000e-01 9.38369700000e-01 9.38405650000e-01
|
|
9.38166320000e-01 9.37657620000e-01 9.36884088000e-01 9.35853170000e-01
|
|
9.34570272000e-01 9.33041836000e-01 9.31274302000e-01 9.29273994000e-01
|
|
9.27047800000e-01 9.24602379000e-01 9.21944442000e-01 9.19081051000e-01
|
|
9.16019104000e-01 9.12765525000e-01 9.09327254000e-01 9.05711451000e-01
|
|
9.01924956000e-01 8.97974809000e-01 8.93867920000e-01 8.89610943000e-01
|
|
8.85210928000e-01 8.80674540000e-01 8.76008262000e-01 8.71218725000e-01
|
|
8.66312360000e-01 8.61295383000e-01 8.56173898000e-01 8.50954125000e-01
|
|
8.45641800000e-01 8.40242634000e-01 8.34762308000e-01 8.29206222000e-01
|
|
8.23579728000e-01 8.17887875000e-01 8.12135520000e-01 8.06327572000e-01
|
|
8.00468608000e-01 7.94563116000e-01 7.88615360000e-01 7.82629370000e-01
|
|
7.76609328000e-01 7.70559041000e-01 7.64481926000e-01 7.58381670000e-01
|
|
7.52261696000e-01 7.46125016000e-01 7.39974906000e-01 7.33814082000e-01
|
|
7.27645520000e-01 7.21471902000e-01 7.15295606000e-01 7.09119268000e-01
|
|
7.02945072000e-01 6.96775170000e-01 6.90611828000e-01 6.84456990000e-01
|
|
6.78312416000e-01 6.72179975000e-01 6.66061500000e-01 6.59958486000e-01
|
|
6.53872536000e-01 6.47805060000e-01 6.41757424000e-01 6.35731105000e-01
|
|
6.29727228000e-01 6.23746870000e-01 6.17791376000e-01 6.11861733000e-01
|
|
6.05958880000e-01 6.00083708000e-01 5.94237384000e-01 5.88420546000e-01
|
|
5.82634108000e-01 5.76878775000e-01 5.71155204000e-01 5.65464171000e-01
|
|
5.59806408000e-01 5.54182265000e-01 5.48592380000e-01 5.43037347000e-01
|
|
5.37517716000e-01 5.32033820000e-01 5.26586118000e-01 5.21175200000e-01
|
|
5.15801088000e-01 5.10464460000e-01 5.05165424000e-01 4.99904219000e-01
|
|
4.94681400000e-01 4.89497124000e-01 4.84351504000e-01 4.79244792000e-01
|
|
4.74177016000e-01 4.69148715000e-01 4.64159652000e-01 4.59210103000e-01
|
|
4.54300308000e-01 4.49430093000e-01 4.44599810000e-01 4.39809206000e-01
|
|
4.35058752000e-01 4.30347926000e-01 4.25677128000e-01 4.21046340000e-01
|
|
4.16455312000e-01 4.11904148000e-01 4.07392920000e-01 4.02921469000e-01
|
|
3.98489600000e-01 3.94097484000e-01 3.89745062000e-01 3.85431837000e-01
|
|
3.81158292000e-01 3.76923865000e-01 3.72728572000e-01 3.68572194000e-01
|
|
3.64454688000e-01 3.60375983000e-01 3.56335980000e-01 3.52334341000e-01
|
|
3.48370696000e-01 3.44445495000e-01 3.40557888000e-01 3.36708275000e-01
|
|
3.32895960000e-01 3.29121079000e-01 3.25383312000e-01 3.21682530000e-01
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|
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3.04725408000e-09 3.00708295100e-09 2.96744204000e-09 2.92832260500e-09
|
|
2.88971915200e-09 2.85162453400e-09 2.81403322200e-09 2.77693639300e-09
|
|
2.74032848000e-09 2.70420390000e-09 2.66855377000e-09 2.63337575500e-09
|
|
2.59866093600e-09 2.56440201500e-09 2.53059661200e-09 2.49723575100e-09
|
|
2.46431537600e-09 2.43182977000e-09 2.39977155000e-09 2.36813496400e-09
|
|
2.33691754800e-09 2.30611021800e-09 2.27570882800e-09 2.24570922000e-09
|
|
2.21610391200e-09 2.18688871600e-09 2.15805943200e-09 2.12961018900e-09
|
|
2.10153676000e-09 2.07383324500e-09 2.04649372800e-09 2.01951560300e-09
|
|
1.99289292800e-09 1.96661974500e-09 1.94069507800e-09 1.91511127900e-09
|
|
1.88986401600e-09 1.86495061400e-09 1.84036505000e-09 1.81610462700e-09
|
|
1.79216329600e-09 1.76853666500e-09 1.74522200400e-09 1.72221657500e-09
|
|
1.69951260400e-09 1.67710732800e-09 1.65499881500e-09 1.63318109740e-09
|
|
1.61165121600e-09 1.59040519460e-09 1.56943904620e-09 1.54874944620e-09
|
|
1.52833255560e-09 1.50818486200e-09 1.48830267480e-09 1.46868263080e-09
|
|
1.44932118880e-09 1.43021496690e-09 1.41136074300e-09 1.39275494800e-09
|
|
1.37439451080e-09 1.35627618260e-09 1.33839653640e-09 1.32075264450e-09
|
|
1.30334140160e-09 1.28615969400e-09 1.26920439960e-09 1.25247272770e-09
|
|
1.23596154000e-09 1.21966803000e-09 1.20358938360e-09 1.18772260880e-09
|
|
1.17206504640e-09 1.15661385950e-09 1.14136637420e-09 1.12631990940e-09
|
|
1.11147177680e-09 1.09681945180e-09 1.08236023200e-09 1.06809157890e-09
|
|
1.05401111840e-09 1.04011612740e-09 1.02640456120e-09 1.01287351200e-09
|
|
9.99520922400e-10 9.86344386000e-10 9.73341490000e-10 9.60510159000e-10
|
|
9.47847796000e-10 9.35352485600e-10 9.23021790600e-10 9.10853784300e-10
|
|
8.98846190000e-10 8.86996725000e-10 8.75303618400e-10 8.63764576400e-10
|
|
8.52377644800e-10 8.41140864200e-10 8.30052270000e-10 8.19109719300e-10
|
|
8.08311410000e-10 7.97655535200e-10 7.87140283200e-10 7.76763490500e-10
|
|
7.66523508800e-10 7.56418511700e-10 7.46446668000e-10 7.36606315600e-10
|
|
7.26895788000e-10 7.17313240200e-10 7.07856822400e-10 6.98525377200e-10
|
|
6.89316697600e-10 6.80229443500e-10 6.71262096600e-10 6.62412959900e-10
|
|
6.53680506800e-10 6.45063031800e-10 6.36559175000e-10 6.28167572900e-10
|
|
6.19886508000e-10 6.11714609000e-10 6.03650325600e-10 5.95692454500e-10
|
|
5.87839613600e-10 5.80090065800e-10 5.72442772800e-10 5.64896341700e-10
|
|
5.57449376000e-10 5.50100651700e-10 5.42848765400e-10 5.35692310100e-10
|
|
5.28630404400e-10 5.21661458500e-10 5.14784408400e-10 5.07998187300e-10
|
|
5.01301195200e-10 4.94692535700e-10 4.88171133000e-10 4.81735554300e-10
|
|
4.75384894800e-10 4.69117892700e-10 4.62933637800e-10 4.56830862500e-10
|
|
4.50808473600e-10 4.44865552800e-10 4.39000823800e-10 4.33213540800e-10
|
|
4.27502422000e-10 4.21866716700e-10 4.16305315800e-10 4.10817285700e-10
|
|
4.05401512000e-10 4.00057056000e-10 3.94783155200e-10 3.89578687700e-10
|
|
3.84442886400e-10 3.79374803300e-10 3.74373667000e-10 3.69438345900e-10
|
|
3.64568064000e-10 3.59761864000e-10 3.55019145000e-10 3.50338945500e-10
|
|
3.45720481200e-10 3.41162965800e-10 3.36665431200e-10 3.32227086800e-10
|
|
3.27847320000e-10 3.23525336500e-10 3.19260340000e-10 3.15051532200e-10
|
|
3.10898293200e-10 3.06799821000e-10 3.02755131000e-10 2.98763959000e-10
|
|
2.94825497600e-10 2.90938756500e-10 2.87103286000e-10 2.83318454100e-10
|
|
2.79583446000e-10 2.75897807500e-10 2.72260539000e-10 2.68671364500e-10
|
|
2.65129462400e-10 2.61634372500e-10 2.58185269800e-10 2.54781509200e-10
|
|
2.51422808000e-10 2.48108336400e-10 2.44837444800e-10 2.41609846600e-10
|
|
2.38424707200e-10 2.35281555000e-10 2.32179917200e-10 2.29119137100e-10
|
|
2.26098556400e-10 2.23117881000e-10 2.20176633000e-10 2.17273967100e-10
|
|
2.14409768800e-10 2.11583190000e-10 2.08793930800e-10 2.06041323500e-10
|
|
2.03325066000e-10 2.00644671700e-10 1.97999652800e-10 1.95389336400e-10
|
|
1.92813600000e-10 1.90271768400e-10 1.87763349000e-10 1.85288032300e-10
|
|
1.82845434240e-10 1.80434985300e-10 1.78056317660e-10 1.75709007170e-10
|
|
1.73392647120e-10 1.71106811310e-10 1.68851128000e-10 1.66625169000e-10
|
|
1.64428542120e-10 1.62260891270e-10 1.60121803860e-10 1.58010940500e-10
|
|
1.55927886720e-10 1.53872282760e-10 1.51843786560e-10 1.49842036630e-10
|
|
1.47866670600e-10 1.45917362440e-10 1.43993729460e-10 1.42095462570e-10
|
|
1.40222233280e-10 1.38373675000e-10 1.36549513560e-10 1.34749380760e-10
|
|
1.32972982240e-10 1.31220004230e-10 1.29490132200e-10 1.27783069570e-10
|
|
1.26098500320e-10 1.24436145130e-10 1.22795705260e-10 1.21176900000e-10
|
|
1.19579429200e-10 1.18003010760e-10 1.16447380680e-10 1.14912255530e-10
|
|
1.13397370000e-10 1.11902458140e-10 1.10427253360e-10 1.08971488430e-10
|
|
1.07534933160e-10 1.06117300250e-10 1.04718358300e-10 1.03337856480e-10
|
|
1.01975543360e-10 1.00631204690e-10 9.93045879000e-11 9.79954587300e-11
|
|
9.67035823600e-11 9.54287423400e-11 9.41707027600e-11 9.29292650500e-11
|
|
9.17041732800e-11 9.04952468000e-11 8.93022475800e-11 8.81249750100e-11
|
|
8.69632280000e-11 8.58167859700e-11 8.46854658600e-11 8.35690651400e-11
|
|
8.24673617600e-11 8.13802093500e-11 8.03073658800e-11 7.92486841100e-11
|
|
7.82039401200e-11 7.71729858300e-11 7.61556155000e-11 7.51516611300e-11
|
|
7.41609352000e-11 7.31832688800e-11 7.22184929400e-11 7.12664377500e-11
|
|
7.03269332800e-11 6.93998091000e-11 6.84849135600e-11 6.75820754600e-11
|
|
6.66911424000e-11 6.58119616200e-11 6.49443607800e-11 6.40882056000e-11
|
|
6.32433230000e-11 6.24095972500e-11 6.15868353000e-11 6.07749400100e-11
|
|
5.99737561600e-11 5.91831088800e-11 5.84029001000e-11 5.76329735800e-11
|
|
5.68732113600e-11 5.61234372100e-11 5.53835712000e-11 5.46534558000e-11
|
|
5.39329524800e-11 5.32219611300e-11 5.25203232600e-11 5.18279575800e-11
|
|
5.11447050000e-11 5.04704643000e-11 4.98051146000e-11 4.91485347400e-11
|
|
4.85006032800e-11 4.78612179500e-11 4.72302762400e-11 4.66076364600e-11
|
|
4.59931955600e-11 4.53868697400e-11 4.47885360000e-11 4.41980905700e-11
|
|
4.36154294400e-11 4.30404483600e-11 4.24730428400e-11 4.19131277000e-11
|
|
4.13605784400e-11 4.08153289900e-11 4.02772543800e-11 3.97462881300e-11
|
|
3.92223048000e-11 3.87052375000e-11 3.81949799400e-11 3.76914648500e-11
|
|
3.71945855200e-11 3.67042350000e-11 3.62203650800e-11 3.57428684200e-11
|
|
3.52716768000e-11 3.48066824600e-11 3.43478365000e-11 3.38950307700e-11
|
|
3.34481963200e-11 3.30072443100e-11 3.25721054400e-11 3.21427102500e-11
|
|
3.17189693600e-11 3.13008129600e-11 3.08881710800e-11 3.04809735900e-11
|
|
3.00791502000e-11 2.96826106500e-11 2.92913041200e-11 2.89051598400e-11
|
|
2.85241068800e-11 2.81480741500e-11 2.77769904000e-11 2.74108040900e-11
|
|
2.70494436800e-11 2.66928573600e-11 2.63409733000e-11 2.59937195100e-11
|
|
2.56510437600e-11 2.53128737700e-11 2.49791769800e-11 2.46498808500e-11
|
|
2.43249126800e-11 2.40042395500e-11 2.36877885000e-11 2.33755263900e-11
|
|
2.30673600000e-11 2.27632559400e-11 2.24631807400e-11 2.21670407600e-11
|
|
2.18748223200e-11 2.15864315000e-11 2.13018544200e-11 2.10210370200e-11
|
|
2.07439251200e-11 2.04704443300e-11 2.02006005000e-11 1.99342868640e-11
|
|
1.96714930080e-11 1.94121621870e-11 1.91562516300e-11 1.89037144400e-11
|
|
1.86545076480e-11 1.84085841550e-11 1.81659048300e-11 1.79264223780e-11
|
|
1.76900974800e-11 1.74568887080e-11 1.72267545420e-11 1.69996553930e-11
|
|
1.67755475360e-11 1.65543952500e-11 1.63361586820e-11 1.61207978910e-11
|
|
1.59082769040e-11 1.56985596680e-11 1.54916039600e-11 1.52873776200e-11
|
|
1.50858443520e-11 1.48869677800e-11 1.46907134820e-11 1.44970449250e-11
|
|
1.43059295680e-11 1.41173347980e-11 1.39312258920e-11 1.37475700900e-11
|
|
1.35663345600e-11 1.33874904800e-11 1.32110028380e-11 1.30368406320e-11
|
|
1.28649768800e-11 1.26953784050e-11 1.25280140040e-11 1.23628565000e-11
|
|
1.21998766080e-11 1.20390449790e-11 1.18803342500e-11 1.17237169980e-11
|
|
1.15691616360e-11 1.14166467740e-11 1.12661407040e-11 1.11176178150e-11
|
|
1.09710544960e-11 1.08264229700e-11 1.06836974580e-11 1.05428541840e-11
|
|
1.04038672600e-11 1.02667128030e-11 1.01313668780e-11 9.99780549800e-12
|
|
9.86600462400e-12 9.73594016500e-12 9.60759004400e-12 9.48093420300e-12
|
|
9.35594633600e-12 9.23260628800e-12 9.11089386000e-12 8.99078466700e-12
|
|
8.87225841600e-12 8.75529477000e-12 8.63987334800e-12 8.52597372500e-12
|
|
8.41357543200e-12 8.30266003300e-12 8.19320489600e-12 8.08519357800e-12
|
|
7.97860752000e-12 7.87342396100e-12 7.76962842000e-12 7.66720221800e-12
|
|
7.56612455200e-12 7.46638083000e-12 7.36795017000e-12 7.27081999400e-12
|
|
7.17496725600e-12 7.08037930700e-12 6.98703929000e-12 6.89492822100e-12
|
|
6.80403335200e-12 6.71433562800e-12 6.62582014200e-12 6.53847195500e-12
|
|
6.45227400000e-12 6.36721336800e-12 6.28327502400e-12 6.20044180200e-12
|
|
6.11870280000e-12 6.03803868800e-12 5.95843850400e-12 5.87988915900e-12
|
|
5.80237332800e-12 5.72588207000e-12 5.65039589400e-12 5.57590791100e-12
|
|
5.50240067600e-12 5.42986092600e-12 5.35827959000e-12 5.28764124400e-12
|
|
5.21793465600e-12 5.14914645700e-12 5.08126536400e-12 5.01427795500e-12
|
|
4.94817501200e-12 4.88294306300e-12 4.81857072600e-12 4.75504871400e-12
|
|
4.69236136000e-12 4.63050144900e-12 4.56945750600e-12 4.50921803200e-12
|
|
4.44977362800e-12 4.39111275000e-12 4.33322383000e-12 4.27609953000e-12
|
|
4.21972611200e-12 4.16409832600e-12 4.10920239000e-12 4.05503088700e-12
|
|
4.00157425200e-12 3.94882076700e-12 3.89676295800e-12 3.84539120000e-12
|
|
3.79469798400e-12 3.74467151100e-12 3.69530637200e-12 3.64659072900e-12
|
|
3.59851700000e-12 3.55107758700e-12 3.50426487600e-12 3.45806695100e-12
|
|
3.41248044800e-12 3.36749341500e-12 3.32310031400e-12 3.27929130100e-12
|
|
3.23606080800e-12 3.19339895700e-12 3.15130015000e-12 3.10975662600e-12
|
|
3.06876060800e-12 3.02830430300e-12 2.98838205600e-12 2.94898604500e-12
|
|
2.91011058800e-12 2.87174567700e-12 2.83388775800e-12 2.79652895100e-12
|
|
2.75966136000e-12 2.72328139500e-12 2.68737897200e-12 2.65195263900e-12
|
|
2.61699012000e-12 2.58249210500e-12 2.54844628800e-12 2.51484900700e-12
|
|
2.48169659200e-12 2.44898102700e-12 2.41669428000e-12 2.38483698700e-12
|
|
2.35339675200e-12 2.32237202000e-12 2.29175471000e-12 2.26154325000e-12
|
|
2.23172953600e-12 2.20230762500e-12 2.17327526460e-12 2.14462496760e-12
|
|
2.11635228400e-12 2.08845231840e-12 2.06092016540e-12 2.03375090960e-12
|
|
2.00693984400e-12 1.98048247050e-12 1.95437362600e-12 1.92860901180e-12
|
|
1.90318410160e-12 1.87809435990e-12 1.85333524200e-12 1.82890285130e-12
|
|
1.80479218720e-12 1.78099955490e-12 1.75752059380e-12 1.73435115400e-12
|
|
1.71148707720e-12 1.68892441640e-12 1.66665943640e-12 1.64468773470e-12
|
|
1.62300578000e-12 1.60160959360e-12 1.58049540900e-12 1.55965967240e-12
|
|
1.53909860240e-12 1.51880863050e-12 1.49878618100e-12 1.47902767100e-12
|
|
NL 1 4.00000000000e+00 Wavefunction
|
|
0.00000000000e+00 5.40013300000e-04 2.15849400000e-03 4.85017200000e-03
|
|
8.60615200000e-03 1.34140050000e-02 1.92578400000e-02 2.61183930000e-02
|
|
3.39731120000e-02 4.27963050000e-02 5.25592700000e-02 6.32304090000e-02
|
|
7.47754320000e-02 8.71575120000e-02 1.00337468000e-01 1.14273975000e-01
|
|
1.28923760000e-01 1.44241804000e-01 1.60181586000e-01 1.76695269000e-01
|
|
1.93733960000e-01 2.11247820000e-01 2.29186760000e-01 2.47499780000e-01
|
|
2.66135760000e-01 2.85044250000e-01 3.04174520000e-01 3.23476200000e-01
|
|
3.42900040000e-01 3.62397050000e-01 3.81920100000e-01 4.01422100000e-01
|
|
4.20858880000e-01 4.40186010000e-01 4.59362100000e-01 4.78347100000e-01
|
|
4.97102760000e-01 5.15592040000e-01 5.33781820000e-01 5.51639010000e-01
|
|
5.69134400000e-01 5.86240140000e-01 6.02930160000e-01 6.19181940000e-01
|
|
6.34974120000e-01 6.50288250000e-01 6.65108020000e-01 6.79418840000e-01
|
|
6.93208800000e-01 7.06468280000e-01 7.19189000000e-01 7.31365500000e-01
|
|
7.42993160000e-01 7.54071280000e-01 7.64598420000e-01 7.74576550000e-01
|
|
7.84008960000e-01 7.92899640000e-01 8.01254340000e-01 8.09081160000e-01
|
|
8.16388200000e-01 8.23185240000e-01 8.29482500000e-01 8.35291800000e-01
|
|
8.40624640000e-01 8.45495300000e-01 8.49916320000e-01 8.53902940000e-01
|
|
8.57468440000e-01 8.60628720000e-01 8.63398200000e-01 8.65792460000e-01
|
|
8.67827520000e-01 8.69517600000e-01 8.70878620000e-01 8.71926000000e-01
|
|
8.72674560000e-01 8.73139190000e-01 8.73334020000e-01 8.73273900000e-01
|
|
8.72971200000e-01 8.72440470000e-01 8.71693620000e-01 8.70743040000e-01
|
|
8.69600760000e-01 8.68277550000e-01 8.66783680000e-01 8.65130436000e-01
|
|
8.63326904000e-01 8.61382228000e-01 8.59305330000e-01 8.57104430000e-01
|
|
8.54787364000e-01 8.52361368000e-01 8.49833602000e-01 8.47210570000e-01
|
|
8.44498272000e-01 8.41702659000e-01 8.38829040000e-01 8.35882443000e-01
|
|
8.32867700000e-01 8.29789134000e-01 8.26650840000e-01 8.23456675000e-01
|
|
8.20210144000e-01 8.16914700000e-01 8.13573214000e-01 8.10188699000e-01
|
|
8.06763780000e-01 8.03300788000e-01 7.99802080000e-01 7.96269822000e-01
|
|
7.92705872000e-01 7.89111996000e-01 7.85490096000e-01 7.81841645000e-01
|
|
7.78168136000e-01 7.74470970000e-01 7.70751338000e-01 7.67010573000e-01
|
|
7.63249800000e-01 7.59470173000e-01 7.55672514000e-01 7.51858041000e-01
|
|
7.48027520000e-01 7.44182125000e-01 7.40322450000e-01 7.36449505000e-01
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</PP_PSWFC>
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<PP_RHOATOM>
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2.12157872035e-14 2.08718250936e-14 2.05334430770e-14 2.02005410553e-14
|
|
1.98730444611e-14 1.95508556887e-14 1.92338904517e-14 1.89220773114e-14
|
|
1.86152990385e-14 1.83135098556e-14 1.80166067146e-14 1.77245224614e-14
|
|
1.74371680902e-14 1.71544783883e-14 1.68763777301e-14 1.66027804987e-14
|
|
1.63336133784e-14 1.60688149174e-14 1.58083135552e-14 1.55520387220e-14
|
|
1.52999102201e-14 1.50518807263e-14 1.48078614436e-14 1.45678066309e-14
|
|
1.43316399874e-14 1.40993068736e-14 1.38707329975e-14 1.36458754419e-14
|
|
1.34246516754e-14 1.32070202623e-14 1.29929203946e-14 1.27822921392e-14
|
|
1.25750764281e-14 1.23712246452e-14 1.21706696794e-14 1.19733739007e-14
|
|
1.17792717932e-14 1.15883175631e-14 1.14004659412e-14 1.12156538538e-14
|
|
1.10338374920e-14 1.08549735532e-14 1.06790102844e-14 1.05058967063e-14
|
|
1.03355826045e-14 1.01680447658e-14 1.00032078289e-14 9.84105828270e-15
|
|
9.68153099483e-15 9.52458753903e-15 9.37018994561e-15 9.21829234476e-15
|
|
9.06886615021e-15 8.92185828792e-15 8.77723295510e-15 8.63495478113e-15
|
|
8.49498078693e-15 8.35727664060e-15 8.22180051469e-15 8.08852694624e-15
|
|
7.95741505362e-15 7.82842460236e-15 7.70153134420e-15 7.57668834620e-15
|
|
7.45387220611e-15 7.33304467869e-15 7.21418301460e-15 7.09724246447e-15
|
|
6.98220108999e-15 6.86902255620e-15 6.75767833408e-15 6.64814025678e-15
|
|
6.54038051625e-15 6.43436461060e-15 6.33006560184e-15 6.22745689824e-15
|
|
6.12651913897e-15 6.02721258610e-15 5.92951860826e-15 5.83340523558e-15
|
|
5.73884771368e-15 5.64582823968e-15 5.55431597548e-15 5.46428713119e-15
|
|
</PP_RHOATOM>
|