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quantum-espresso/PP/examples/MolDos_example/reference/chainH2.k.projwfc.out

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Program PROJWFC v.6.0 (svn rev. 13286) starts on 8Feb2017 at 10:10:30
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);
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 2 processors
R & G space division: proc/nbgrp/npool/nimage = 2
Reading data from directory:
/home/pietro/espresso-svn/tempdir/chainH2.save
Info: using nr1, nr2, nr3 values from input
Info: using nr1, nr2, nr3 values from input
IMPORTANT: XC functional enforced from input :
Exchange-correlation = PBE ( 1 4 3 4 0 0)
Any further DFT definition will be discarded
Please, verify this is what you really want
============================================================
| pseudopotential report for atomic species: 1 |
| pseudo potential version 7 3 2 |
------------------------------------------------------------
| hydrogen PBE exchange-corr |
| z = 1. zv( 1) = 1. exfact = 5.00000 |
| ifpcor = 0 atomic energy = -0.91772 Ry |
| index orbital occupation energy |
| 1 100 1.00 -0.48 |
| rinner = 0.5000 |
| new generation scheme: |
| nbeta = 1 kkbeta = 271 rcloc = 0.6000 |
| ibeta l epsilon rcut |
| 1 0 -0.48 0.80 |
============================================================
Parallelization info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Min 152 152 44 4138 4138 612
Max 153 153 45 4141 4141 617
Sum 305 305 89 8279 8279 1229
negative rho (up, down): 4.072E-04 0.000E+00
Gaussian broadening (read from input): ngauss,degauss= 0 0.014700
Calling projwave ....
Atomic states used for projection
(read from pseudopotential files):
state # 1: atom 1 (H ), wfc 1 (l=0 m= 1)
state # 2: atom 2 (H ), wfc 1 (l=0 m= 1)
state # 3: atom 3 (H ), wfc 1 (l=0 m= 1)
state # 4: atom 4 (H ), wfc 1 (l=0 m= 1)
state # 5: atom 5 (H ), wfc 1 (l=0 m= 1)
state # 6: atom 6 (H ), wfc 1 (l=0 m= 1)
state # 7: atom 7 (H ), wfc 1 (l=0 m= 1)
state # 8: atom 8 (H ), wfc 1 (l=0 m= 1)
state # 9: atom 9 (H ), wfc 1 (l=0 m= 1)
state # 10: atom 10 (H ), wfc 1 (l=0 m= 1)
state # 11: atom 11 (H ), wfc 1 (l=0 m= 1)
state # 12: atom 12 (H ), wfc 1 (l=0 m= 1)
k = 0.0000000000 0.0000000000 0.0000000000
==== e( 1) = -15.20950 eV ====
psi = 0.097*[# 6]+0.094*[# 5]+0.094*[# 7]+0.088*[# 4]+0.088*[# 8]+
+0.083*[# 3]+0.083*[# 9]+0.081*[# 2]+0.081*[# 10]+0.081*[# 1]+
+0.005*[# 11]+0.005*[# 12]+
|psi|^2 = 0.880
==== e( 2) = -12.58701 eV ====
psi = 0.187*[# 1]+0.170*[# 6]+0.124*[# 2]+0.124*[# 10]+0.109*[# 5]+
+0.109*[# 7]+0.022*[# 11]+0.022*[# 12]+0.021*[# 3]+0.021*[# 9]+
+0.014*[# 4]+0.014*[# 8]+
|psi|^2 = 0.936
==== e( 3) = -12.46323 eV ====
psi = 0.171*[# 4]+0.171*[# 8]+0.168*[# 3]+0.168*[# 9]+0.067*[# 5]+
+0.067*[# 7]+0.064*[# 2]+0.064*[# 10]+
|psi|^2 = 0.938
==== e( 4) = -7.25391 eV ====
psi = 0.452*[# 11]+0.452*[# 12]+0.019*[# 1]+0.016*[# 4]+0.016*[# 8]+
+0.008*[# 5]+0.008*[# 7]+0.005*[# 2]+0.005*[# 10]+0.004*[# 3]+
+0.004*[# 9]+0.002*[# 6]+
|psi|^2 = 0.991
==== e( 5) = -4.31438 eV ====
psi = 0.180*[# 2]+0.180*[# 10]+0.177*[# 5]+0.177*[# 7]+0.069*[# 3]+
+0.069*[# 9]+0.067*[# 4]+0.067*[# 8]+0.006*[# 11]+0.006*[# 12]+
|psi|^2 = 0.998
==== e( 6) = -4.13502 eV ====
psi = 0.206*[# 6]+0.183*[# 1]+0.130*[# 3]+0.130*[# 9]+0.122*[# 4]+
+0.122*[# 8]+0.023*[# 5]+0.023*[# 7]+0.016*[# 2]+0.016*[# 10]+
+0.014*[# 11]+0.014*[# 12]+
|psi|^2 = 0.998
==== e( 7) = 2.37282 eV ====
psi = 0.025*[# 1]+0.019*[# 2]+0.019*[# 10]+0.010*[# 3]+0.010*[# 9]+
+0.007*[# 4]+0.007*[# 8]+0.004*[# 5]+0.004*[# 7]+0.003*[# 6]+
|psi|^2 = 0.108
==== e( 8) = 2.73269 eV ====
psi = 0.299*[# 11]+0.299*[# 12]+0.007*[# 2]+0.007*[# 10]+0.006*[# 3]+
+0.006*[# 9]+
|psi|^2 = 0.627
==== e( 9) = 5.12915 eV ====
psi = 0.006*[# 6]+0.005*[# 5]+0.005*[# 7]+0.002*[# 1]+0.002*[# 2]+
+0.002*[# 10]+0.002*[# 11]+0.002*[# 12]+0.001*[# 4]+0.001*[# 8]+
|psi|^2 = 0.028
==== e( 10) = 5.99190 eV ====
psi =
|psi|^2 = 0.000
==== e( 11) = 7.37902 eV ====
psi = 0.003*[# 5]+0.003*[# 7]+0.002*[# 4]+0.002*[# 8]+0.001*[# 11]+
+0.001*[# 12]+
|psi|^2 = 0.015
==== e( 12) = 7.54613 eV ====
psi = 0.085*[# 11]+0.085*[# 12]+0.012*[# 4]+0.012*[# 8]+0.007*[# 3]+
+0.007*[# 9]+0.002*[# 2]+0.002*[# 10]+
|psi|^2 = 0.214
==== e( 13) = 8.00031 eV ====
psi =
|psi|^2 = 0.000
==== e( 14) = 8.75501 eV ====
psi =
|psi|^2 = 0.000
==== e( 15) = 8.83738 eV ====
psi =
|psi|^2 = 0.000
==== e( 16) = 9.45809 eV ====
psi = 0.145*[# 2]+0.145*[# 10]+0.144*[# 5]+0.144*[# 7]+0.061*[# 3]+
+0.061*[# 4]+0.061*[# 8]+0.061*[# 9]+0.002*[# 11]+0.002*[# 12]+
|psi|^2 = 0.825
==== e( 17) = 9.49627 eV ====
psi = 0.183*[# 6]+0.181*[# 1]+0.124*[# 4]+0.124*[# 8]+0.120*[# 3]+
+0.120*[# 9]+0.019*[# 2]+0.019*[# 10]+0.018*[# 5]+0.018*[# 7]+
|psi|^2 = 0.926
==== e( 18) = 10.28143 eV ====
psi = 0.018*[# 6]+0.012*[# 1]+0.007*[# 3]+0.007*[# 9]+0.002*[# 4]+
+0.002*[# 8]+
|psi|^2 = 0.050
==== e( 19) = 10.30249 eV ====
psi = 0.052*[# 11]+0.052*[# 12]+0.031*[# 5]+0.031*[# 7]+0.027*[# 2]+
+0.027*[# 10]+0.004*[# 3]+0.004*[# 9]+0.003*[# 4]+0.003*[# 8]+
|psi|^2 = 0.234
==== e( 20) = 10.79217 eV ====
psi =
|psi|^2 = 0.000
k = 0.0000000000 0.0000000000 0.0125000000
==== e( 1) = -15.20782 eV ====
psi = 0.097*[# 6]+0.094*[# 5]+0.094*[# 7]+0.088*[# 4]+0.088*[# 8]+
+0.083*[# 3]+0.083*[# 9]+0.081*[# 2]+0.081*[# 10]+0.081*[# 1]+
+0.005*[# 11]+0.005*[# 12]+
|psi|^2 = 0.880
==== e( 2) = -12.67126 eV ====
psi = 0.133*[# 1]+0.121*[# 6]+0.107*[# 2]+0.107*[# 10]+0.097*[# 5]+
+0.097*[# 7]+0.063*[# 3]+0.063*[# 9]+0.059*[# 4]+0.059*[# 8]+
+0.015*[# 11]+0.015*[# 12]+
|psi|^2 = 0.935
==== e( 3) = -12.37566 eV ====
psi = 0.125*[# 3]+0.125*[# 9]+0.125*[# 4]+0.125*[# 8]+0.082*[# 2]+
+0.082*[# 10]+0.079*[# 5]+0.079*[# 7]+0.054*[# 1]+0.049*[# 6]+
+0.007*[# 11]+0.007*[# 12]+
|psi|^2 = 0.940
==== e( 4) = -7.25516 eV ====
psi = 0.451*[# 11]+0.451*[# 12]+0.019*[# 1]+0.017*[# 4]+0.017*[# 8]+
+0.008*[# 5]+0.008*[# 7]+0.005*[# 2]+0.005*[# 10]+0.004*[# 3]+
+0.004*[# 9]+0.002*[# 6]+
|psi|^2 = 0.991
==== e( 5) = -4.50228 eV ====
psi = 0.124*[# 5]+0.124*[# 7]+0.124*[# 2]+0.124*[# 10]+0.089*[# 3]+
+0.089*[# 9]+0.085*[# 4]+0.085*[# 8]+0.071*[# 6]+0.061*[# 1]+
+0.011*[# 11]+0.011*[# 12]+
|psi|^2 = 0.998
==== e( 6) = -3.94232 eV ====
psi = 0.135*[# 6]+0.122*[# 1]+0.110*[# 3]+0.110*[# 9]+0.104*[# 4]+
+0.104*[# 8]+0.075*[# 5]+0.075*[# 7]+0.072*[# 2]+0.072*[# 10]+
+0.010*[# 11]+0.010*[# 12]+
|psi|^2 = 0.999
==== e( 7) = 2.35909 eV ====
psi = 0.024*[# 1]+0.018*[# 2]+0.018*[# 10]+0.014*[# 11]+0.014*[# 12]+
+0.010*[# 3]+0.010*[# 9]+0.006*[# 4]+0.006*[# 8]+0.004*[# 5]+
+0.004*[# 7]+0.003*[# 6]+
|psi|^2 = 0.131
==== e( 8) = 2.74912 eV ====
psi = 0.286*[# 11]+0.286*[# 12]+0.008*[# 2]+0.008*[# 10]+0.006*[# 3]+
+0.006*[# 9]+0.001*[# 4]+0.001*[# 8]+
|psi|^2 = 0.603
==== e( 9) = 5.13019 eV ====
psi = 0.006*[# 6]+0.005*[# 5]+0.005*[# 7]+0.003*[# 11]+0.003*[# 12]+
+0.002*[# 1]+0.002*[# 2]+0.002*[# 10]+0.001*[# 4]+0.001*[# 8]+
|psi|^2 = 0.029
==== e( 10) = 5.99356 eV ====
psi =
|psi|^2 = 0.000
==== e( 11) = 7.31160 eV ====
psi = 0.021*[# 11]+0.021*[# 12]+0.005*[# 4]+0.005*[# 8]+0.002*[# 3]+
+0.002*[# 5]+0.002*[# 7]+0.002*[# 9]+0.001*[# 2]+0.001*[# 10]+
|psi|^2 = 0.064
==== e( 12) = 7.61552 eV ====
psi = 0.065*[# 11]+0.065*[# 12]+0.010*[# 4]+0.010*[# 8]+0.006*[# 3]+
+0.006*[# 9]+0.002*[# 2]+0.002*[# 10]+
|psi|^2 = 0.167
==== e( 13) = 7.99921 eV ====
psi =
|psi|^2 = 0.000
==== e( 14) = 8.66393 eV ====
psi =
|psi|^2 = 0.000
==== e( 15) = 8.93429 eV ====
psi =
|psi|^2 = 0.000
==== e( 16) = 9.08650 eV ====
psi = 0.091*[# 4]+0.091*[# 8]+0.090*[# 3]+0.090*[# 9]+0.089*[# 5]+
+0.089*[# 7]+0.089*[# 6]+0.089*[# 2]+0.089*[# 10]+0.088*[# 1]+
|psi|^2 = 0.896
==== e( 17) = 9.85590 eV ====
psi = 0.094*[# 6]+0.093*[# 1]+0.087*[# 4]+0.087*[# 8]+0.087*[# 3]+
+0.087*[# 9]+0.062*[# 2]+0.062*[# 10]+0.060*[# 5]+0.060*[# 7]+
+0.007*[# 11]+0.007*[# 12]+
|psi|^2 = 0.793
==== e( 18) = 10.08615 eV ====
psi = 0.024*[# 5]+0.024*[# 7]+0.021*[# 2]+0.021*[# 10]+0.021*[# 11]+
+0.021*[# 12]+0.004*[# 4]+0.004*[# 8]+0.004*[# 3]+0.004*[# 9]+
|psi|^2 = 0.149
==== e( 19) = 10.51610 eV ====
psi = 0.027*[# 11]+0.027*[# 12]+0.021*[# 5]+0.021*[# 7]+0.019*[# 2]+
+0.019*[# 10]+0.017*[# 6]+0.012*[# 1]+0.011*[# 3]+0.011*[# 9]+
+0.006*[# 4]+0.006*[# 8]+
|psi|^2 = 0.194
==== e( 20) = 10.76003 eV ====
psi =
|psi|^2 = 0.000
k = 0.0000000000 0.0000000000 0.0250000000
==== e( 1) = -15.20332 eV ====
psi = 0.097*[# 6]+0.094*[# 5]+0.094*[# 7]+0.088*[# 4]+0.088*[# 8]+
+0.083*[# 3]+0.083*[# 9]+0.081*[# 2]+0.081*[# 10]+0.081*[# 1]+
+0.005*[# 11]+0.005*[# 12]+
|psi|^2 = 0.880
==== e( 2) = -12.79397 eV ====
psi = 0.114*[# 1]+0.104*[# 6]+0.101*[# 2]+0.101*[# 10]+0.092*[# 5]+
+0.092*[# 7]+0.077*[# 3]+0.077*[# 9]+0.074*[# 4]+0.074*[# 8]+
+0.013*[# 11]+0.013*[# 12]+
|psi|^2 = 0.932
==== e( 3) = -12.24302 eV ====
psi = 0.111*[# 3]+0.111*[# 9]+0.110*[# 4]+0.110*[# 8]+0.088*[# 2]+
+0.088*[# 10]+0.083*[# 5]+0.083*[# 7]+0.072*[# 1]+0.066*[# 6]+
+0.009*[# 11]+0.009*[# 12]+
|psi|^2 = 0.942
==== e( 4) = -7.25960 eV ====
psi = 0.450*[# 11]+0.450*[# 12]+0.020*[# 1]+0.017*[# 4]+0.017*[# 8]+
+0.008*[# 5]+0.008*[# 7]+0.005*[# 2]+0.005*[# 10]+0.004*[# 3]+
+0.004*[# 9]+0.002*[# 6]+
|psi|^2 = 0.991
==== e( 5) = -4.75272 eV ====
psi = 0.112*[# 5]+0.112*[# 7]+0.111*[# 2]+0.111*[# 10]+0.094*[# 3]+
+0.094*[# 9]+0.088*[# 4]+0.088*[# 8]+0.087*[# 6]+0.074*[# 1]+
+0.014*[# 11]+0.014*[# 12]+
|psi|^2 = 0.998
==== e( 6) = -3.67828 eV ====
psi = 0.119*[# 6]+0.109*[# 1]+0.105*[# 3]+0.105*[# 9]+0.101*[# 4]+
+0.101*[# 8]+0.087*[# 5]+0.087*[# 7]+0.084*[# 2]+0.084*[# 10]+
+0.009*[# 11]+0.009*[# 12]+
|psi|^2 = 0.999
==== e( 7) = 2.32374 eV ====
psi = 0.040*[# 11]+0.040*[# 12]+0.022*[# 1]+0.018*[# 2]+0.018*[# 10]+
+0.010*[# 3]+0.010*[# 9]+0.006*[# 4]+0.006*[# 8]+0.003*[# 5]+
+0.003*[# 7]+0.002*[# 6]+
|psi|^2 = 0.178
==== e( 8) = 2.79245 eV ====
psi = 0.259*[# 11]+0.259*[# 12]+0.008*[# 2]+0.008*[# 10]+0.006*[# 3]+
+0.006*[# 9]+0.002*[# 1]+0.001*[# 4]+0.001*[# 8]+
|psi|^2 = 0.555
==== e( 9) = 5.13321 eV ====
psi = 0.005*[# 6]+0.005*[# 5]+0.005*[# 7]+0.004*[# 11]+0.004*[# 12]+
+0.002*[# 1]+0.002*[# 2]+0.002*[# 10]+0.001*[# 4]+0.001*[# 8]+
|psi|^2 = 0.032
==== e( 10) = 5.99856 eV ====
psi =
|psi|^2 = 0.000
==== e( 11) = 7.19962 eV ====
psi = 0.032*[# 11]+0.032*[# 12]+0.007*[# 4]+0.007*[# 8]+0.004*[# 3]+
+0.004*[# 9]+0.002*[# 5]+0.002*[# 7]+0.002*[# 2]+0.002*[# 10]+
|psi|^2 = 0.095
==== e( 12) = 7.73195 eV ====
psi = 0.054*[# 11]+0.054*[# 12]+0.009*[# 4]+0.009*[# 8]+0.006*[# 3]+
+0.006*[# 9]+0.003*[# 6]+0.002*[# 2]+0.002*[# 10]+
|psi|^2 = 0.146
==== e( 13) = 7.99520 eV ====
psi =
|psi|^2 = 0.000
==== e( 14) = 8.54866 eV ====
psi =
|psi|^2 = 0.000
==== e( 15) = 8.69926 eV ====
psi = 0.092*[# 6]+0.091*[# 1]+0.090*[# 3]+0.090*[# 5]+0.090*[# 7]+
+0.090*[# 9]+0.090*[# 4]+0.090*[# 8]+0.088*[# 2]+0.088*[# 10]+
|psi|^2 = 0.901
==== e( 16) = 9.06775 eV ====
psi =
|psi|^2 = 0.000
==== e( 17) = 9.85112 eV ====
psi = 0.029*[# 11]+0.029*[# 12]+0.015*[# 6]+0.013*[# 1]+0.008*[# 3]+
+0.008*[# 9]+0.003*[# 4]+0.003*[# 8]+0.002*[# 2]+0.002*[# 10]+
+0.002*[# 5]+0.002*[# 7]+
|psi|^2 = 0.114
==== e( 18) = 10.25755 eV ====
psi = 0.079*[# 4]+0.079*[# 8]+0.071*[# 3]+0.071*[# 9]+0.070*[# 5]+
+0.070*[# 7]+0.070*[# 2]+0.070*[# 10]+0.066*[# 1]+0.061*[# 6]+
+0.002*[# 11]+0.002*[# 12]+
|psi|^2 = 0.713
==== e( 19) = 10.68265 eV ====
psi =
|psi|^2 = 0.000
==== e( 20) = 10.75701 eV ====
psi = 0.031*[# 6]+0.031*[# 5]+0.031*[# 7]+0.029*[# 2]+0.029*[# 10]+
+0.023*[# 1]+0.023*[# 11]+0.023*[# 12]+0.021*[# 3]+0.021*[# 9]+
+0.014*[# 4]+0.014*[# 8]+
|psi|^2 = 0.291
k = 0.0000000000 0.0000000000 0.0375000000
==== e( 1) = -15.19494 eV ====
psi = 0.097*[# 6]+0.094*[# 5]+0.094*[# 7]+0.088*[# 4]+0.088*[# 8]+
+0.083*[# 3]+0.083*[# 9]+0.081*[# 2]+0.081*[# 10]+0.081*[# 1]+
+0.005*[# 11]+0.005*[# 12]+
|psi|^2 = 0.880
==== e( 2) = -12.91754 eV ====
psi = 0.108*[# 1]+0.098*[# 2]+0.098*[# 10]+0.098*[# 6]+0.091*[# 5]+
+0.091*[# 7]+0.082*[# 3]+0.082*[# 9]+0.080*[# 4]+0.080*[# 8]+
+0.011*[# 11]+0.011*[# 12]+
|psi|^2 = 0.930
==== e( 3) = -12.10284 eV ====
psi = 0.106*[# 3]+0.106*[# 9]+0.105*[# 4]+0.105*[# 8]+0.090*[# 2]+
+0.090*[# 10]+0.085*[# 5]+0.085*[# 7]+0.079*[# 1]+0.072*[# 6]+
+0.011*[# 11]+0.011*[# 12]+
|psi|^2 = 0.944
==== e( 4) = -7.26641 eV ====
psi = 0.447*[# 11]+0.447*[# 12]+0.021*[# 1]+0.018*[# 4]+0.018*[# 8]+
+0.009*[# 5]+0.009*[# 7]+0.006*[# 2]+0.006*[# 10]+0.005*[# 3]+
+0.005*[# 9]+0.002*[# 6]+
|psi|^2 = 0.991
==== e( 5) = -5.00221 eV ====
psi = 0.108*[# 5]+0.108*[# 7]+0.105*[# 2]+0.105*[# 10]+0.094*[# 3]+
+0.094*[# 9]+0.094*[# 6]+0.088*[# 4]+0.088*[# 8]+0.077*[# 1]+
+0.018*[# 11]+0.018*[# 12]+
|psi|^2 = 0.997
==== e( 6) = -3.40433 eV ====
psi = 0.113*[# 6]+0.104*[# 1]+0.104*[# 3]+0.104*[# 9]+0.100*[# 4]+
+0.100*[# 8]+0.091*[# 5]+0.091*[# 7]+0.089*[# 2]+0.089*[# 10]+
+0.008*[# 11]+0.008*[# 12]+
|psi|^2 = 0.999
==== e( 7) = 2.27689 eV ====
psi = 0.064*[# 11]+0.064*[# 12]+0.021*[# 1]+0.017*[# 2]+0.017*[# 10]+
+0.010*[# 3]+0.010*[# 9]+0.006*[# 4]+0.006*[# 8]+0.003*[# 5]+
+0.003*[# 7]+0.002*[# 6]+
|psi|^2 = 0.222
==== e( 8) = 2.85263 eV ====
psi = 0.232*[# 11]+0.232*[# 12]+0.009*[# 2]+0.009*[# 10]+0.006*[# 3]+
+0.006*[# 9]+0.004*[# 1]+0.002*[# 4]+0.002*[# 8]+0.002*[# 6]+
+0.001*[# 5]+0.001*[# 7]+
|psi|^2 = 0.507
==== e( 9) = 5.13804 eV ====
psi = 0.007*[# 11]+0.007*[# 12]+0.005*[# 6]+0.005*[# 5]+0.005*[# 7]+
+0.002*[# 1]+0.002*[# 2]+0.002*[# 10]+0.001*[# 4]+0.001*[# 8]+
|psi|^2 = 0.038
==== e( 10) = 6.00688 eV ====
psi =
|psi|^2 = 0.000
==== e( 11) = 7.08240 eV ====
psi = 0.037*[# 11]+0.037*[# 12]+0.010*[# 4]+0.010*[# 8]+0.006*[# 3]+
+0.006*[# 9]+0.003*[# 5]+0.003*[# 7]+0.002*[# 2]+0.002*[# 10]+
|psi|^2 = 0.116
==== e( 12) = 7.84640 eV ====
psi = 0.045*[# 11]+0.045*[# 12]+0.013*[# 4]+0.013*[# 8]+0.011*[# 3]+
+0.011*[# 9]+0.009*[# 6]+0.007*[# 2]+0.007*[# 10]+0.005*[# 1]+
+0.003*[# 5]+0.003*[# 7]+
|psi|^2 = 0.172
==== e( 13) = 7.98587 eV ====
psi =
|psi|^2 = 0.000
==== e( 14) = 8.32741 eV ====
psi = 0.089*[# 5]+0.089*[# 7]+0.088*[# 1]+0.087*[# 6]+0.084*[# 3]+
+0.084*[# 9]+0.084*[# 2]+0.084*[# 10]+0.083*[# 4]+0.083*[# 8]+
+0.003*[# 11]+0.003*[# 12]+
|psi|^2 = 0.862
==== e( 15) = 8.44165 eV ====
psi =
|psi|^2 = 0.000
==== e( 16) = 9.20764 eV ====
psi =
|psi|^2 = 0.000
==== e( 17) = 9.64972 eV ====
psi = 0.027*[# 11]+0.027*[# 12]+0.008*[# 6]+0.007*[# 1]+0.004*[# 3]+
+0.004*[# 9]+0.003*[# 5]+0.003*[# 7]+0.003*[# 2]+0.003*[# 10]+
|psi|^2 = 0.089
==== e( 18) = 10.58588 eV ====
psi =
|psi|^2 = 0.000
==== e( 19) = 10.60079 eV ====
psi = 0.064*[# 4]+0.064*[# 8]+0.054*[# 3]+0.054*[# 9]+0.050*[# 1]+
+0.049*[# 2]+0.049*[# 10]+0.048*[# 5]+0.048*[# 7]+0.044*[# 6]+
+0.009*[# 11]+0.009*[# 12]+
|psi|^2 = 0.542
==== e( 20) = 11.03094 eV ====
psi = 0.055*[# 6]+0.050*[# 5]+0.050*[# 7]+0.049*[# 2]+0.049*[# 10]+
+0.043*[# 1]+0.041*[# 3]+0.041*[# 9]+0.032*[# 4]+0.032*[# 8]+
+0.017*[# 11]+0.017*[# 12]+
|psi|^2 = 0.474
k = 0.0000000000 0.0000000000 0.0500000000
==== e( 1) = -15.18322 eV ====
psi = 0.098*[# 6]+0.095*[# 5]+0.095*[# 7]+0.088*[# 4]+0.088*[# 8]+
+0.083*[# 3]+0.083*[# 9]+0.081*[# 2]+0.081*[# 10]+0.081*[# 1]+
+0.005*[# 11]+0.005*[# 12]+
|psi|^2 = 0.880
==== e( 2) = -13.03894 eV ====
psi = 0.104*[# 1]+0.097*[# 2]+0.097*[# 10]+0.095*[# 6]+0.090*[# 5]+
+0.090*[# 7]+0.085*[# 3]+0.085*[# 9]+0.082*[# 4]+0.082*[# 8]+
+0.011*[# 11]+0.011*[# 12]+
|psi|^2 = 0.928
==== e( 3) = -11.96083 eV ====
psi = 0.104*[# 3]+0.104*[# 9]+0.102*[# 4]+0.102*[# 8]+0.091*[# 2]+
+0.091*[# 10]+0.086*[# 5]+0.086*[# 7]+0.083*[# 1]+0.075*[# 6]+
+0.012*[# 11]+0.012*[# 12]+
|psi|^2 = 0.947
==== e( 4) = -7.27788 eV ====
psi = 0.442*[# 11]+0.442*[# 12]+0.023*[# 1]+0.020*[# 4]+0.020*[# 8]+
+0.009*[# 5]+0.009*[# 7]+0.007*[# 2]+0.007*[# 10]+0.006*[# 3]+
+0.006*[# 9]+0.001*[# 6]+
|psi|^2 = 0.991
==== e( 5) = -5.24655 eV ====
psi = 0.105*[# 5]+0.105*[# 7]+0.102*[# 2]+0.102*[# 10]+0.098*[# 6]+
+0.094*[# 3]+0.094*[# 9]+0.086*[# 4]+0.086*[# 8]+0.078*[# 1]+
+0.023*[# 11]+0.023*[# 12]+
|psi|^2 = 0.997
==== e( 6) = -3.12502 eV ====
psi = 0.109*[# 6]+0.103*[# 3]+0.103*[# 9]+0.102*[# 1]+0.099*[# 4]+
+0.099*[# 8]+0.093*[# 5]+0.093*[# 7]+0.091*[# 2]+0.091*[# 10]+
+0.007*[# 11]+0.007*[# 12]+
|psi|^2 = 0.999
==== e( 7) = 2.22525 eV ====
psi = 0.084*[# 11]+0.084*[# 12]+0.020*[# 1]+0.017*[# 2]+0.017*[# 10]+
+0.010*[# 3]+0.010*[# 9]+0.005*[# 4]+0.005*[# 8]+0.003*[# 5]+
+0.003*[# 7]+0.001*[# 6]+
|psi|^2 = 0.257
==== e( 8) = 2.92258 eV ====
psi = 0.211*[# 11]+0.211*[# 12]+0.009*[# 2]+0.009*[# 10]+0.006*[# 3]+
+0.006*[# 9]+0.005*[# 1]+0.002*[# 6]+0.002*[# 4]+0.002*[# 5]+
+0.002*[# 7]+0.002*[# 8]+
|psi|^2 = 0.468
==== e( 9) = 5.14413 eV ====
psi = 0.010*[# 11]+0.010*[# 12]+0.005*[# 6]+0.005*[# 5]+0.005*[# 7]+
+0.002*[# 2]+0.002*[# 10]+0.002*[# 1]+0.002*[# 4]+0.002*[# 8]+
|psi|^2 = 0.046
==== e( 10) = 6.01853 eV ====
psi =
|psi|^2 = 0.000
==== e( 11) = 6.96346 eV ====
psi = 0.039*[# 11]+0.039*[# 12]+0.014*[# 4]+0.014*[# 8]+0.009*[# 3]+
+0.009*[# 9]+0.004*[# 2]+0.004*[# 10]+0.004*[# 5]+0.004*[# 7]+
+0.002*[# 1]+0.001*[# 6]+
|psi|^2 = 0.143
==== e( 12) = 7.83212 eV ====
psi = 0.073*[# 6]+0.066*[# 3]+0.066*[# 9]+0.065*[# 4]+0.065*[# 8]+
+0.062*[# 2]+0.062*[# 10]+0.061*[# 1]+0.054*[# 5]+0.054*[# 7]+
+0.010*[# 11]+0.010*[# 12]+
|psi|^2 = 0.648
==== e( 13) = 7.96632 eV ====
psi =
|psi|^2 = 0.000
==== e( 14) = 8.09556 eV ====
psi = 0.038*[# 5]+0.038*[# 7]+0.036*[# 11]+0.036*[# 12]+0.031*[# 1]+
+0.028*[# 2]+0.028*[# 10]+0.027*[# 4]+0.027*[# 8]+0.026*[# 3]+
+0.026*[# 9]+0.024*[# 6]+
|psi|^2 = 0.367
==== e( 15) = 8.34964 eV ====
psi =
|psi|^2 = 0.000
==== e( 16) = 9.35193 eV ====
psi =
|psi|^2 = 0.000
==== e( 17) = 9.44951 eV ====
psi = 0.025*[# 11]+0.025*[# 12]+0.005*[# 6]+0.005*[# 1]+0.003*[# 2]+
+0.003*[# 5]+0.003*[# 7]+0.003*[# 10]+0.002*[# 3]+0.002*[# 9]+
|psi|^2 = 0.077
==== e( 18) = 10.48256 eV ====
psi =
|psi|^2 = 0.000
==== e( 19) = 10.89755 eV ====
psi = 0.040*[# 4]+0.040*[# 8]+0.031*[# 3]+0.031*[# 9]+0.028*[# 1]+
+0.026*[# 5]+0.026*[# 7]+0.025*[# 2]+0.025*[# 10]+0.020*[# 6]+
+0.017*[# 11]+0.017*[# 12]+
|psi|^2 = 0.326
==== e( 20) = 11.35605 eV ====
psi = 0.080*[# 6]+0.071*[# 5]+0.071*[# 7]+0.071*[# 2]+0.071*[# 10]+
+0.066*[# 1]+0.065*[# 3]+0.065*[# 9]+0.055*[# 4]+0.055*[# 8]+
+0.009*[# 11]+0.009*[# 12]+
|psi|^2 = 0.689
k = 0.0000000000 0.0000000000 0.0625000000
==== e( 1) = -15.16815 eV ====
psi = 0.098*[# 6]+0.095*[# 5]+0.095*[# 7]+0.088*[# 4]+0.088*[# 8]+
+0.083*[# 3]+0.083*[# 9]+0.081*[# 2]+0.081*[# 10]+0.081*[# 1]+
+0.005*[# 11]+0.005*[# 12]+
|psi|^2 = 0.881
==== e( 2) = -13.15743 eV ====
psi = 0.102*[# 1]+0.096*[# 2]+0.096*[# 10]+0.092*[# 6]+0.089*[# 5]+
+0.089*[# 7]+0.086*[# 3]+0.086*[# 9]+0.084*[# 4]+0.084*[# 8]+
+0.010*[# 11]+0.010*[# 12]+
|psi|^2 = 0.926
==== e( 3) = -11.81252 eV ====
psi = 0.103*[# 3]+0.103*[# 9]+0.100*[# 4]+0.100*[# 8]+0.092*[# 2]+
+0.092*[# 10]+0.086*[# 5]+0.086*[# 7]+0.085*[# 1]+0.077*[# 6]+
+0.012*[# 11]+0.012*[# 12]+
|psi|^2 = 0.949
==== e( 4) = -7.29291 eV ====
psi = 0.435*[# 11]+0.435*[# 12]+0.025*[# 1]+0.022*[# 4]+0.022*[# 8]+
+0.010*[# 5]+0.010*[# 7]+0.008*[# 2]+0.008*[# 10]+0.007*[# 3]+
+0.007*[# 9]+
|psi|^2 = 0.991
==== e( 5) = -5.48390 eV ====
psi = 0.103*[# 5]+0.103*[# 7]+0.100*[# 6]+0.099*[# 2]+0.099*[# 10]+
+0.093*[# 3]+0.093*[# 9]+0.084*[# 4]+0.084*[# 8]+0.076*[# 1]+
+0.030*[# 11]+0.030*[# 12]+
|psi|^2 = 0.996
==== e( 6) = -2.84119 eV ====
psi = 0.107*[# 6]+0.102*[# 3]+0.102*[# 9]+0.101*[# 1]+0.099*[# 4]+
+0.099*[# 8]+0.094*[# 5]+0.094*[# 7]+0.092*[# 2]+0.092*[# 10]+
+0.007*[# 11]+0.007*[# 12]+
|psi|^2 = 0.999
==== e( 7) = 2.17267 eV ====
psi = 0.099*[# 11]+0.099*[# 12]+0.019*[# 1]+0.017*[# 2]+0.017*[# 10]+
+0.010*[# 3]+0.010*[# 9]+0.005*[# 4]+0.005*[# 8]+0.002*[# 5]+
+0.002*[# 7]+
|psi|^2 = 0.284
==== e( 8) = 2.99872 eV ====
psi = 0.192*[# 11]+0.192*[# 12]+0.009*[# 2]+0.009*[# 10]+0.006*[# 3]+
+0.006*[# 9]+0.005*[# 1]+0.003*[# 6]+0.003*[# 5]+0.003*[# 7]+
+0.002*[# 4]+0.002*[# 8]+
|psi|^2 = 0.435
==== e( 9) = 5.15098 eV ====
psi = 0.016*[# 11]+0.016*[# 12]+0.005*[# 5]+0.005*[# 7]+0.004*[# 6]+
+0.003*[# 2]+0.003*[# 10]+0.002*[# 1]+0.002*[# 4]+0.002*[# 8]+
|psi|^2 = 0.058
==== e( 10) = 6.03348 eV ====
psi =
|psi|^2 = 0.000
==== e( 11) = 6.83954 eV ====
psi = 0.038*[# 11]+0.038*[# 12]+0.021*[# 4]+0.021*[# 8]+0.015*[# 3]+
+0.015*[# 9]+0.008*[# 2]+0.008*[# 10]+0.007*[# 5]+0.007*[# 7]+
+0.006*[# 1]+0.005*[# 6]+
|psi|^2 = 0.192
==== e( 12) = 7.52047 eV ====
psi = 0.093*[# 6]+0.085*[# 1]+0.082*[# 3]+0.082*[# 9]+0.082*[# 2]+
+0.082*[# 10]+0.080*[# 5]+0.080*[# 7]+0.078*[# 4]+0.078*[# 8]+
|psi|^2 = 0.823
==== e( 13) = 7.92940 eV ====
psi =
|psi|^2 = 0.000
==== e( 14) = 8.17646 eV ====
psi = 0.047*[# 11]+0.047*[# 12]+0.009*[# 5]+0.009*[# 7]+0.006*[# 4]+
+0.006*[# 8]+0.005*[# 1]+0.004*[# 3]+0.004*[# 9]+0.004*[# 2]+
+0.004*[# 10]+0.001*[# 6]+
|psi|^2 = 0.147
==== e( 15) = 8.28024 eV ====
psi =
|psi|^2 = 0.000
==== e( 16) = 9.25472 eV ====
psi = 0.023*[# 11]+0.023*[# 12]+0.004*[# 1]+0.004*[# 6]+0.002*[# 2]+
+0.002*[# 10]+0.002*[# 5]+0.002*[# 7]+0.002*[# 3]+0.002*[# 9]+
|psi|^2 = 0.066
==== e( 17) = 9.50011 eV ====
psi =
|psi|^2 = 0.000
==== e( 18) = 10.37828 eV ====
psi =
|psi|^2 = 0.000
==== e( 19) = 11.14742 eV ====
psi = 0.023*[# 4]+0.023*[# 8]+0.020*[# 11]+0.020*[# 12]+0.015*[# 3]+
+0.015*[# 9]+0.013*[# 1]+0.013*[# 5]+0.013*[# 7]+0.012*[# 2]+
+0.012*[# 10]+0.007*[# 6]+
|psi|^2 = 0.188
==== e( 20) = 11.72665 eV ====
psi = 0.094*[# 6]+0.084*[# 2]+0.084*[# 10]+0.083*[# 5]+0.083*[# 7]+
+0.081*[# 1]+0.080*[# 3]+0.080*[# 9]+0.073*[# 4]+0.073*[# 8]+
+0.004*[# 11]+0.004*[# 12]+
|psi|^2 = 0.821
k = 0.0000000000 0.0000000000 0.0750000000
==== e( 1) = -15.14970 eV ====
psi = 0.098*[# 6]+0.095*[# 5]+0.095*[# 7]+0.088*[# 4]+0.088*[# 8]+
+0.083*[# 3]+0.083*[# 9]+0.081*[# 2]+0.081*[# 10]+0.080*[# 1]+
+0.005*[# 11]+0.005*[# 12]+
|psi|^2 = 0.881
==== e( 2) = -13.27119 eV ====
psi = 0.101*[# 1]+0.096*[# 2]+0.096*[# 10]+0.091*[# 6]+0.089*[# 5]+
+0.089*[# 7]+0.087*[# 3]+0.087*[# 9]+0.085*[# 4]+0.085*[# 8]+
+0.010*[# 11]+0.010*[# 12]+
|psi|^2 = 0.923
==== e( 3) = -11.66069 eV ====
psi = 0.102*[# 3]+0.102*[# 9]+0.099*[# 4]+0.099*[# 8]+0.093*[# 2]+
+0.093*[# 10]+0.086*[# 1]+0.086*[# 5]+0.086*[# 7]+0.079*[# 6]+
+0.013*[# 11]+0.013*[# 12]+
|psi|^2 = 0.951
==== e( 4) = -7.31287 eV ====
psi = 0.425*[# 11]+0.425*[# 12]+0.029*[# 1]+0.026*[# 4]+0.026*[# 8]+
+0.012*[# 5]+0.012*[# 7]+0.010*[# 2]+0.010*[# 10]+0.009*[# 3]+
+0.009*[# 9]+
|psi|^2 = 0.991
==== e( 5) = -5.71240 eV ====
psi = 0.102*[# 6]+0.101*[# 5]+0.101*[# 7]+0.097*[# 2]+0.097*[# 10]+
+0.092*[# 3]+0.092*[# 9]+0.080*[# 4]+0.080*[# 8]+0.074*[# 1]+
+0.040*[# 11]+0.040*[# 12]+
|psi|^2 = 0.996
==== e( 6) = -2.55321 eV ====
psi = 0.105*[# 6]+0.102*[# 3]+0.102*[# 9]+0.101*[# 1]+0.099*[# 4]+
+0.099*[# 8]+0.095*[# 5]+0.095*[# 7]+0.093*[# 2]+0.093*[# 10]+
+0.007*[# 11]+0.007*[# 12]+
|psi|^2 = 0.999
==== e( 7) = 2.12102 eV ====
psi = 0.110*[# 11]+0.110*[# 12]+0.019*[# 1]+0.016*[# 2]+0.016*[# 10]+
+0.010*[# 3]+0.010*[# 9]+0.005*[# 4]+0.005*[# 8]+0.002*[# 5]+
+0.002*[# 7]+
|psi|^2 = 0.306
==== e( 8) = 3.07904 eV ====
psi = 0.177*[# 11]+0.177*[# 12]+0.009*[# 2]+0.009*[# 10]+0.006*[# 3]+
+0.006*[# 9]+0.005*[# 1]+0.004*[# 6]+0.003*[# 5]+0.003*[# 7]+
+0.002*[# 4]+0.002*[# 8]+
|psi|^2 = 0.406
==== e( 9) = 5.15750 eV ====
psi = 0.022*[# 11]+0.022*[# 12]+0.005*[# 5]+0.005*[# 7]+0.003*[# 2]+
+0.003*[# 6]+0.003*[# 10]+0.003*[# 4]+0.003*[# 8]+0.002*[# 1]+
+0.001*[# 3]+0.001*[# 9]+
|psi|^2 = 0.073
==== e( 10) = 6.05175 eV ====
psi =
|psi|^2 = 0.000
==== e( 11) = 6.69622 eV ====
psi = 0.038*[# 4]+0.038*[# 8]+0.033*[# 11]+0.033*[# 12]+0.031*[# 3]+
+0.031*[# 9]+0.020*[# 2]+0.020*[# 10]+0.018*[# 1]+0.017*[# 5]+
+0.017*[# 6]+0.017*[# 7]+
|psi|^2 = 0.315
==== e( 12) = 7.19161 eV ====
psi = 0.083*[# 6]+0.076*[# 1]+0.074*[# 5]+0.074*[# 7]+0.072*[# 2]+
+0.072*[# 10]+0.069*[# 3]+0.069*[# 9]+0.063*[# 4]+0.063*[# 8]+
+0.005*[# 11]+0.005*[# 12]+
|psi|^2 = 0.723
==== e( 13) = 7.87058 eV ====
psi =
|psi|^2 = 0.000
==== e( 14) = 8.23825 eV ====
psi =
|psi|^2 = 0.000
==== e( 15) = 8.30317 eV ====
psi = 0.049*[# 11]+0.049*[# 12]+0.006*[# 5]+0.006*[# 7]+0.004*[# 4]+
+0.004*[# 8]+0.003*[# 3]+0.003*[# 9]+0.002*[# 1]+0.002*[# 2]+
+0.002*[# 10]+
|psi|^2 = 0.129
==== e( 16) = 9.06868 eV ====
psi = 0.018*[# 11]+0.018*[# 12]+0.003*[# 1]+0.003*[# 6]+0.002*[# 2]+
+0.002*[# 10]+0.002*[# 5]+0.002*[# 7]+0.001*[# 3]+0.001*[# 9]+
|psi|^2 = 0.053
==== e( 17) = 9.65135 eV ====
psi =
|psi|^2 = 0.000
==== e( 18) = 10.27600 eV ====
psi =
|psi|^2 = 0.000
==== e( 19) = 11.36769 eV ====
psi = 0.021*[# 11]+0.021*[# 12]+0.014*[# 4]+0.014*[# 8]+0.008*[# 3]+
+0.008*[# 9]+0.007*[# 5]+0.007*[# 7]+0.007*[# 1]+0.005*[# 2]+
+0.005*[# 10]+0.002*[# 6]+
|psi|^2 = 0.120
==== e( 20) = 11.92248 eV ====
psi =
|psi|^2 = 0.000
k = 0.0000000000 0.0000000000 0.0875000000
==== e( 1) = -15.12792 eV ====
psi = 0.098*[# 6]+0.095*[# 5]+0.095*[# 7]+0.088*[# 4]+0.088*[# 8]+
+0.083*[# 3]+0.083*[# 9]+0.081*[# 2]+0.081*[# 10]+0.080*[# 1]+
+0.005*[# 11]+0.005*[# 12]+
|psi|^2 = 0.882
==== e( 2) = -13.38335 eV ====
psi = 0.100*[# 1]+0.095*[# 2]+0.095*[# 10]+0.090*[# 6]+0.088*[# 5]+
+0.088*[# 7]+0.088*[# 3]+0.088*[# 9]+0.085*[# 4]+0.085*[# 8]+
+0.009*[# 11]+0.009*[# 12]+
|psi|^2 = 0.921
==== e( 3) = -11.50550 eV ====
psi = 0.101*[# 3]+0.101*[# 9]+0.098*[# 4]+0.098*[# 8]+0.093*[# 2]+
+0.093*[# 10]+0.087*[# 1]+0.086*[# 5]+0.086*[# 7]+0.079*[# 6]+
+0.014*[# 11]+0.014*[# 12]+
|psi|^2 = 0.953
==== e( 4) = -7.34134 eV ====
psi = 0.409*[# 11]+0.409*[# 12]+0.034*[# 1]+0.031*[# 4]+0.031*[# 8]+
+0.014*[# 5]+0.014*[# 7]+0.013*[# 2]+0.013*[# 10]+0.012*[# 3]+
+0.012*[# 9]+
|psi|^2 = 0.991
==== e( 5) = -5.92978 eV ====
psi = 0.104*[# 6]+0.098*[# 5]+0.098*[# 7]+0.093*[# 2]+0.093*[# 10]+
+0.089*[# 3]+0.089*[# 9]+0.075*[# 4]+0.075*[# 8]+0.069*[# 1]+
+0.056*[# 11]+0.056*[# 12]+
|psi|^2 = 0.995
==== e( 6) = -2.26127 eV ====
psi = 0.104*[# 6]+0.102*[# 3]+0.102*[# 9]+0.101*[# 1]+0.099*[# 4]+
+0.099*[# 8]+0.096*[# 5]+0.096*[# 7]+0.094*[# 2]+0.094*[# 10]+
+0.007*[# 11]+0.007*[# 12]+
|psi|^2 = 0.999
==== e( 7) = 2.07126 eV ====
psi = 0.119*[# 11]+0.119*[# 12]+0.018*[# 1]+0.016*[# 2]+0.016*[# 10]+
+0.010*[# 3]+0.010*[# 9]+0.005*[# 4]+0.005*[# 8]+0.002*[# 5]+
+0.002*[# 7]+
|psi|^2 = 0.323
==== e( 8) = 3.16180 eV ====
psi = 0.163*[# 11]+0.163*[# 12]+0.009*[# 2]+0.009*[# 10]+0.006*[# 3]+
+0.006*[# 9]+0.005*[# 1]+0.005*[# 6]+0.004*[# 5]+0.004*[# 7]+
+0.002*[# 4]+0.002*[# 8]+
|psi|^2 = 0.380
==== e( 9) = 5.16177 eV ====
psi = 0.031*[# 11]+0.031*[# 12]+0.005*[# 5]+0.005*[# 7]+0.004*[# 2]+
+0.004*[# 10]+0.004*[# 4]+0.004*[# 8]+0.002*[# 3]+0.002*[# 6]+
+0.002*[# 9]+0.001*[# 1]+
|psi|^2 = 0.095
==== e( 10) = 6.07330 eV ====
psi =
|psi|^2 = 0.000
==== e( 11) = 6.49595 eV ====
psi = 0.067*[# 4]+0.067*[# 8]+0.061*[# 3]+0.061*[# 9]+0.048*[# 6]+
+0.047*[# 2]+0.047*[# 10]+0.047*[# 1]+0.043*[# 5]+0.043*[# 7]+
+0.019*[# 11]+0.019*[# 12]+
|psi|^2 = 0.571
==== e( 12) = 6.92649 eV ====
psi = 0.053*[# 6]+0.049*[# 1]+0.049*[# 5]+0.049*[# 7]+0.045*[# 2]+
+0.045*[# 10]+0.039*[# 3]+0.039*[# 9]+0.032*[# 4]+0.032*[# 8]+
+0.017*[# 11]+0.017*[# 12]+
|psi|^2 = 0.468
==== e( 13) = 7.79333 eV ====
psi =
|psi|^2 = 0.000
==== e( 14) = 8.22009 eV ====
psi =
|psi|^2 = 0.000
==== e( 15) = 8.42376 eV ====
psi = 0.054*[# 11]+0.054*[# 12]+0.005*[# 5]+0.005*[# 7]+0.004*[# 4]+
+0.004*[# 8]+0.002*[# 3]+0.002*[# 9]+0.002*[# 1]+0.001*[# 2]+
+0.001*[# 10]+
|psi|^2 = 0.134
==== e( 16) = 8.90214 eV ====
psi = 0.010*[# 11]+0.010*[# 12]+0.002*[# 6]+0.002*[# 1]+0.002*[# 2]+
+0.002*[# 10]+0.001*[# 5]+0.001*[# 7]+
|psi|^2 = 0.032
==== e( 17) = 9.80374 eV ====
psi =
|psi|^2 = 0.000
==== e( 18) = 10.17878 eV ====
psi =
|psi|^2 = 0.000
==== e( 19) = 11.56778 eV ====
psi = 0.020*[# 11]+0.020*[# 12]+0.009*[# 4]+0.009*[# 8]+0.005*[# 5]+
+0.005*[# 7]+0.004*[# 3]+0.004*[# 9]+0.004*[# 1]+0.003*[# 2]+
+0.003*[# 10]+
|psi|^2 = 0.086
==== e( 20) = 12.07247 eV ====
psi =
|psi|^2 = 0.000
k = 0.0000000000 0.0000000000 0.1000000000
==== e( 1) = -15.10279 eV ====
psi = 0.098*[# 6]+0.095*[# 5]+0.095*[# 7]+0.088*[# 4]+0.088*[# 8]+
+0.083*[# 3]+0.083*[# 9]+0.080*[# 2]+0.080*[# 10]+0.080*[# 1]+
+0.005*[# 11]+0.005*[# 12]+
|psi|^2 = 0.883
==== e( 2) = -13.49222 eV ====
psi = 0.099*[# 1]+0.095*[# 2]+0.095*[# 10]+0.089*[# 6]+0.088*[# 3]+
+0.088*[# 9]+0.088*[# 5]+0.088*[# 7]+0.086*[# 4]+0.086*[# 8]+
+0.009*[# 11]+0.009*[# 12]+
|psi|^2 = 0.919
==== e( 3) = -11.34702 eV ====
psi = 0.101*[# 3]+0.101*[# 9]+0.098*[# 4]+0.098*[# 8]+0.093*[# 2]+
+0.093*[# 10]+0.088*[# 1]+0.086*[# 5]+0.086*[# 7]+0.080*[# 6]+
+0.015*[# 11]+0.015*[# 12]+
|psi|^2 = 0.955
==== e( 4) = -7.38103 eV ====
psi = 0.386*[# 11]+0.386*[# 12]+0.040*[# 1]+0.038*[# 4]+0.038*[# 8]+
+0.018*[# 5]+0.018*[# 7]+0.018*[# 2]+0.018*[# 10]+0.016*[# 3]+
+0.016*[# 9]+
|psi|^2 = 0.991
==== e( 5) = -6.13265 eV ====
psi = 0.104*[# 6]+0.094*[# 5]+0.094*[# 7]+0.088*[# 2]+0.088*[# 10]+
+0.084*[# 3]+0.084*[# 9]+0.079*[# 11]+0.079*[# 12]+0.068*[# 4]+
+0.068*[# 8]+0.063*[# 1]+
|psi|^2 = 0.994
==== e( 6) = -1.96552 eV ====
psi = 0.103*[# 6]+0.101*[# 3]+0.101*[# 9]+0.101*[# 1]+0.099*[# 4]+
+0.099*[# 8]+0.096*[# 5]+0.096*[# 7]+0.094*[# 2]+0.094*[# 10]+
+0.007*[# 11]+0.007*[# 12]+
|psi|^2 = 0.999
==== e( 7) = 2.02408 eV ====
psi = 0.127*[# 11]+0.127*[# 12]+0.018*[# 1]+0.017*[# 2]+0.017*[# 10]+
+0.010*[# 3]+0.010*[# 9]+0.005*[# 4]+0.005*[# 8]+0.001*[# 5]+
+0.001*[# 7]+
|psi|^2 = 0.337
==== e( 8) = 3.24617 eV ====
psi = 0.150*[# 11]+0.150*[# 12]+0.009*[# 2]+0.009*[# 10]+0.006*[# 3]+
+0.006*[# 9]+0.006*[# 6]+0.005*[# 1]+0.004*[# 5]+0.004*[# 7]+
+0.003*[# 4]+0.003*[# 8]+
|psi|^2 = 0.355
==== e( 9) = 5.16051 eV ====
psi = 0.041*[# 11]+0.041*[# 12]+0.006*[# 4]+0.006*[# 8]+0.006*[# 2]+
+0.006*[# 5]+0.006*[# 7]+0.006*[# 10]+0.004*[# 3]+0.004*[# 9]+
|psi|^2 = 0.128
==== e( 10) = 6.09810 eV ====
psi =
|psi|^2 = 0.000
==== e( 11) = 6.21469 eV ====
psi = 0.087*[# 4]+0.087*[# 8]+0.083*[# 3]+0.083*[# 9]+0.078*[# 6]+
+0.075*[# 1]+0.071*[# 2]+0.071*[# 10]+0.068*[# 5]+0.068*[# 7]+
+0.006*[# 11]+0.006*[# 12]+
|psi|^2 = 0.784
==== e( 12) = 6.75741 eV ====
psi = 0.029*[# 11]+0.029*[# 12]+0.024*[# 6]+0.024*[# 5]+0.024*[# 7]+
+0.023*[# 1]+0.021*[# 2]+0.021*[# 10]+0.015*[# 3]+0.015*[# 9]+
+0.010*[# 4]+0.010*[# 8]+
|psi|^2 = 0.244
==== e( 13) = 7.70544 eV ====
psi =
|psi|^2 = 0.000
==== e( 14) = 8.21801 eV ====
psi =
|psi|^2 = 0.000
==== e( 15) = 8.48434 eV ====
psi = 0.060*[# 11]+0.060*[# 12]+0.004*[# 5]+0.004*[# 7]+0.003*[# 1]+
+0.003*[# 3]+0.003*[# 9]+0.002*[# 4]+0.002*[# 8]+0.002*[# 2]+
+0.002*[# 10]+
|psi|^2 = 0.145
==== e( 16) = 8.80495 eV ====
psi = 0.002*[# 6]+0.001*[# 5]+0.001*[# 7]+0.001*[# 4]+0.001*[# 8]+
|psi|^2 = 0.011
==== e( 17) = 9.94344 eV ====
psi =
|psi|^2 = 0.000
==== e( 18) = 10.10117 eV ====
psi =
|psi|^2 = 0.000
==== e( 19) = 11.74974 eV ====
psi = 0.017*[# 11]+0.017*[# 12]+0.006*[# 4]+0.006*[# 8]+0.004*[# 5]+
+0.004*[# 7]+0.002*[# 3]+0.002*[# 9]+0.002*[# 1]+0.001*[# 2]+
+0.001*[# 10]+
|psi|^2 = 0.064
==== e( 20) = 12.22696 eV ====
psi =
|psi|^2 = 0.000
k = 0.0000000000 0.0000000000 0.1125000000
==== e( 1) = -15.07431 eV ====
psi = 0.099*[# 6]+0.096*[# 5]+0.096*[# 7]+0.089*[# 4]+0.089*[# 8]+
+0.083*[# 3]+0.083*[# 9]+0.080*[# 2]+0.080*[# 10]+0.080*[# 1]+
+0.005*[# 11]+0.005*[# 12]+
|psi|^2 = 0.883
==== e( 2) = -13.59777 eV ====
psi = 0.099*[# 1]+0.095*[# 2]+0.095*[# 10]+0.089*[# 3]+0.089*[# 9]+
+0.088*[# 6]+0.087*[# 5]+0.087*[# 7]+0.086*[# 4]+0.086*[# 8]+
+0.008*[# 11]+0.008*[# 12]+
|psi|^2 = 0.917
==== e( 3) = -11.18530 eV ====
psi = 0.101*[# 3]+0.101*[# 9]+0.097*[# 4]+0.097*[# 8]+0.094*[# 2]+
+0.094*[# 10]+0.088*[# 1]+0.086*[# 5]+0.086*[# 7]+0.081*[# 6]+
+0.016*[# 11]+0.016*[# 12]+
|psi|^2 = 0.958
==== e( 4) = -7.43585 eV ====
psi = 0.352*[# 11]+0.352*[# 12]+0.049*[# 1]+0.047*[# 4]+0.047*[# 8]+
+0.024*[# 2]+0.024*[# 10]+0.023*[# 5]+0.023*[# 7]+0.022*[# 3]+
+0.022*[# 9]+0.002*[# 6]+
|psi|^2 = 0.990
==== e( 5) = -6.31570 eV ====
psi = 0.111*[# 11]+0.111*[# 12]+0.103*[# 6]+0.089*[# 5]+0.089*[# 7]+
+0.081*[# 2]+0.081*[# 10]+0.078*[# 3]+0.078*[# 9]+0.059*[# 4]+
+0.059*[# 8]+0.054*[# 1]+
|psi|^2 = 0.994
==== e( 6) = -1.66605 eV ====
psi = 0.102*[# 6]+0.101*[# 3]+0.101*[# 9]+0.101*[# 1]+0.099*[# 4]+
+0.099*[# 8]+0.096*[# 5]+0.096*[# 7]+0.094*[# 2]+0.094*[# 10]+
+0.007*[# 11]+0.007*[# 12]+
|psi|^2 = 0.999
==== e( 7) = 1.97996 eV ====
psi = 0.132*[# 11]+0.132*[# 12]+0.018*[# 1]+0.017*[# 2]+0.017*[# 10]+
+0.010*[# 3]+0.010*[# 9]+0.005*[# 4]+0.005*[# 8]+0.001*[# 5]+
+0.001*[# 7]+
|psi|^2 = 0.349
==== e( 8) = 3.33142 eV ====
psi = 0.137*[# 11]+0.137*[# 12]+0.009*[# 2]+0.009*[# 10]+0.007*[# 6]+
+0.006*[# 3]+0.006*[# 9]+0.005*[# 1]+0.005*[# 5]+0.005*[# 7]+
+0.003*[# 4]+0.003*[# 8]+
|psi|^2 = 0.331
==== e( 9) = 5.14593 eV ====
psi = 0.053*[# 11]+0.053*[# 12]+0.012*[# 4]+0.012*[# 8]+0.010*[# 2]+
+0.010*[# 10]+0.009*[# 3]+0.009*[# 9]+0.009*[# 5]+0.009*[# 7]+
|psi|^2 = 0.186
==== e( 10) = 5.89588 eV ====
psi = 0.092*[# 6]+0.088*[# 4]+0.088*[# 8]+0.088*[# 1]+0.088*[# 3]+
+0.088*[# 9]+0.077*[# 2]+0.077*[# 10]+0.077*[# 5]+0.077*[# 7]+
|psi|^2 = 0.842
==== e( 11) = 6.12614 eV ====
psi =
|psi|^2 = 0.000
==== e( 12) = 6.65035 eV ====
psi = 0.032*[# 11]+0.032*[# 12]+0.013*[# 5]+0.013*[# 7]+0.011*[# 6]+
+0.011*[# 1]+0.010*[# 2]+0.010*[# 10]+0.006*[# 3]+0.006*[# 9]+
+0.003*[# 4]+0.003*[# 8]+
|psi|^2 = 0.150
==== e( 13) = 7.61300 eV ====
psi =
|psi|^2 = 0.000
==== e( 14) = 8.22583 eV ====
psi =
|psi|^2 = 0.000
==== e( 15) = 8.40233 eV ====
psi = 0.048*[# 11]+0.048*[# 12]+0.003*[# 1]+0.002*[# 5]+0.002*[# 7]+
+0.002*[# 2]+0.002*[# 3]+0.002*[# 9]+0.002*[# 10]+
|psi|^2 = 0.114
==== e( 16) = 8.85896 eV ====
psi = 0.010*[# 11]+0.010*[# 12]+0.002*[# 5]+0.002*[# 7]+0.002*[# 4]+
+0.002*[# 8]+0.001*[# 6]+
|psi|^2 = 0.031
==== e( 17) = 9.95295 eV ====
psi =
|psi|^2 = 0.000
==== e( 18) = 10.16119 eV ====
psi =
|psi|^2 = 0.000
==== e( 19) = 11.90995 eV ====
psi = 0.013*[# 11]+0.013*[# 12]+0.004*[# 5]+0.004*[# 7]+0.004*[# 4]+
+0.004*[# 8]+0.001*[# 3]+0.001*[# 9]+0.001*[# 1]+
|psi|^2 = 0.047
==== e( 20) = 12.38550 eV ====
psi =
|psi|^2 = 0.000
k = 0.0000000000 0.0000000000 0.1250000000
==== e( 1) = -15.04486 eV ====
psi = 0.099*[# 6]+0.096*[# 5]+0.096*[# 7]+0.089*[# 4]+0.089*[# 8]+
+0.083*[# 3]+0.083*[# 9]+0.080*[# 2]+0.080*[# 10]+0.079*[# 1]+
+0.005*[# 11]+0.005*[# 12]+
|psi|^2 = 0.884
==== e( 2) = -13.70000 eV ====
psi = 0.099*[# 1]+0.095*[# 2]+0.095*[# 10]+0.089*[# 3]+0.089*[# 9]+
+0.087*[# 6]+0.087*[# 5]+0.087*[# 7]+0.086*[# 4]+0.086*[# 8]+
+0.008*[# 11]+0.008*[# 12]+
|psi|^2 = 0.914
==== e( 3) = -11.02042 eV ====
psi = 0.101*[# 3]+0.101*[# 9]+0.097*[# 4]+0.097*[# 8]+0.094*[# 2]+
+0.094*[# 10]+0.088*[# 1]+0.086*[# 5]+0.086*[# 7]+0.081*[# 6]+
+0.017*[# 11]+0.017*[# 12]+
|psi|^2 = 0.960
==== e( 4) = -7.51219 eV ====
psi = 0.308*[# 11]+0.308*[# 12]+0.060*[# 1]+0.058*[# 4]+0.058*[# 8]+
+0.033*[# 2]+0.033*[# 10]+0.031*[# 5]+0.031*[# 7]+0.031*[# 3]+
+0.031*[# 9]+0.006*[# 6]+
|psi|^2 = 0.990
==== e( 5) = -6.47546 eV ====
psi = 0.155*[# 11]+0.155*[# 12]+0.100*[# 6]+0.081*[# 5]+0.081*[# 7]+
+0.072*[# 2]+0.072*[# 10]+0.069*[# 3]+0.069*[# 9]+0.048*[# 4]+
+0.048*[# 8]+0.044*[# 1]+
|psi|^2 = 0.993
==== e( 6) = -1.36297 eV ====
psi = 0.101*[# 6]+0.101*[# 1]+0.101*[# 3]+0.101*[# 9]+0.099*[# 4]+
+0.099*[# 8]+0.097*[# 5]+0.097*[# 7]+0.094*[# 2]+0.094*[# 10]+
+0.007*[# 11]+0.007*[# 12]+
|psi|^2 = 0.998
==== e( 7) = 1.93884 eV ====
psi = 0.137*[# 11]+0.137*[# 12]+0.018*[# 1]+0.017*[# 2]+0.017*[# 10]+
+0.010*[# 3]+0.010*[# 9]+0.005*[# 4]+0.005*[# 8]+0.001*[# 5]+
+0.001*[# 7]+
|psi|^2 = 0.359
==== e( 8) = 3.41648 eV ====
psi = 0.125*[# 11]+0.125*[# 12]+0.009*[# 2]+0.009*[# 10]+0.008*[# 6]+
+0.006*[# 3]+0.006*[# 9]+0.005*[# 5]+0.005*[# 7]+0.005*[# 1]+
+0.003*[# 4]+0.003*[# 8]+
|psi|^2 = 0.307
==== e( 9) = 5.09359 eV ====
psi = 0.060*[# 11]+0.060*[# 12]+0.031*[# 4]+0.031*[# 8]+0.025*[# 3]+
+0.025*[# 9]+0.025*[# 2]+0.025*[# 10]+0.019*[# 5]+0.019*[# 7]+
+0.006*[# 6]+0.005*[# 1]+
|psi|^2 = 0.331
==== e( 10) = 5.59471 eV ====
psi = 0.091*[# 6]+0.089*[# 1]+0.075*[# 3]+0.075*[# 9]+0.072*[# 4]+
+0.072*[# 8]+0.071*[# 5]+0.071*[# 7]+0.068*[# 2]+0.068*[# 10]+
+0.005*[# 11]+0.005*[# 12]+
|psi|^2 = 0.762
==== e( 11) = 6.15736 eV ====
psi =
|psi|^2 = 0.000
==== e( 12) = 6.57507 eV ====
psi = 0.030*[# 11]+0.030*[# 12]+0.008*[# 5]+0.008*[# 7]+0.006*[# 2]+
+0.006*[# 10]+0.006*[# 1]+0.005*[# 6]+0.003*[# 3]+0.003*[# 9]+
+0.001*[# 4]+0.001*[# 8]+
|psi|^2 = 0.108
==== e( 13) = 7.51950 eV ====
psi =
|psi|^2 = 0.000
==== e( 14) = 8.23987 eV ====
psi =
|psi|^2 = 0.000
==== e( 15) = 8.25197 eV ====
psi = 0.038*[# 11]+0.038*[# 12]+0.003*[# 1]+0.002*[# 2]+0.002*[# 10]+
+0.002*[# 3]+0.002*[# 9]+0.002*[# 5]+0.002*[# 7]+
|psi|^2 = 0.090
==== e( 16) = 8.98930 eV ====
psi = 0.016*[# 11]+0.016*[# 12]+0.003*[# 5]+0.003*[# 7]+0.003*[# 4]+
+0.003*[# 8]+0.001*[# 6]+
|psi|^2 = 0.046
==== e( 17) = 9.87478 eV ====
psi =
|psi|^2 = 0.000
==== e( 18) = 10.31676 eV ====
psi =
|psi|^2 = 0.000
==== e( 19) = 12.03705 eV ====
psi = 0.007*[# 11]+0.007*[# 12]+0.004*[# 5]+0.004*[# 7]+0.002*[# 4]+
+0.002*[# 6]+0.002*[# 8]+
|psi|^2 = 0.030
==== e( 20) = 12.54775 eV ====
psi =
|psi|^2 = 0.000
k = 0.0000000000 0.0000000000 0.1375000000
==== e( 1) = -15.00975 eV ====
psi = 0.100*[# 6]+0.097*[# 5]+0.097*[# 7]+0.089*[# 4]+0.089*[# 8]+
+0.083*[# 3]+0.083*[# 9]+0.080*[# 2]+0.080*[# 10]+0.079*[# 1]+
+0.005*[# 11]+0.005*[# 12]+
|psi|^2 = 0.885
==== e( 2) = -13.79886 eV ====
psi = 0.099*[# 1]+0.095*[# 2]+0.095*[# 10]+0.089*[# 3]+0.089*[# 9]+
+0.086*[# 6]+0.086*[# 5]+0.086*[# 7]+0.086*[# 4]+0.086*[# 8]+
+0.008*[# 11]+0.008*[# 12]+
|psi|^2 = 0.912
==== e( 3) = -10.85242 eV ====
psi = 0.101*[# 3]+0.101*[# 9]+0.096*[# 4]+0.096*[# 8]+0.094*[# 2]+
+0.094*[# 10]+0.088*[# 1]+0.086*[# 5]+0.086*[# 7]+0.081*[# 6]+
+0.019*[# 11]+0.019*[# 12]+
|psi|^2 = 0.962
==== e( 4) = -7.61330 eV ====
psi = 0.255*[# 11]+0.255*[# 12]+0.072*[# 1]+0.071*[# 4]+0.071*[# 8]+
+0.044*[# 2]+0.044*[# 10]+0.041*[# 3]+0.042*[# 5]+0.042*[# 7]+
+0.041*[# 9]+0.013*[# 6]+
|psi|^2 = 0.989
==== e( 5) = -6.60650 eV ====
psi = 0.207*[# 11]+0.207*[# 12]+0.094*[# 6]+0.071*[# 5]+0.071*[# 7]+
+0.061*[# 2]+0.061*[# 10]+0.058*[# 3]+0.058*[# 9]+0.036*[# 4]+
+0.036*[# 8]+0.032*[# 1]+
|psi|^2 = 0.993
==== e( 6) = -1.05637 eV ====
psi = 0.101*[# 1]+0.100*[# 3]+0.100*[# 9]+0.100*[# 6]+0.099*[# 4]+
+0.099*[# 8]+0.097*[# 5]+0.097*[# 7]+0.094*[# 2]+0.094*[# 10]+
+0.007*[# 11]+0.007*[# 12]+
|psi|^2 = 0.998
==== e( 7) = 1.90152 eV ====
psi = 0.141*[# 11]+0.141*[# 12]+0.018*[# 1]+0.017*[# 2]+0.017*[# 10]+
+0.010*[# 3]+0.010*[# 9]+0.005*[# 4]+0.005*[# 8]+
|psi|^2 = 0.367
==== e( 8) = 3.50069 eV ====
psi = 0.112*[# 11]+0.112*[# 12]+0.009*[# 2]+0.009*[# 10]+0.009*[# 6]+
+0.006*[# 3]+0.006*[# 9]+0.006*[# 5]+0.006*[# 7]+0.004*[# 1]+
+0.003*[# 4]+0.003*[# 8]+
|psi|^2 = 0.282
==== e( 9) = 4.93654 eV ====
psi = 0.070*[# 4]+0.070*[# 8]+0.064*[# 3]+0.064*[# 9]+0.059*[# 2]+
+0.059*[# 10]+0.050*[# 5]+0.050*[# 7]+0.043*[# 11]+0.043*[# 12]+
+0.036*[# 6]+0.032*[# 1]+
|psi|^2 = 0.642
==== e( 10) = 5.38897 eV ====
psi = 0.065*[# 1]+0.063*[# 6]+0.043*[# 5]+0.043*[# 7]+0.038*[# 3]+
+0.038*[# 9]+0.037*[# 11]+0.037*[# 12]+0.036*[# 2]+0.036*[# 10]+
+0.033*[# 4]+0.033*[# 8]+
|psi|^2 = 0.501
==== e( 11) = 6.19170 eV ====
psi =
|psi|^2 = 0.000
==== e( 12) = 6.52201 eV ====
psi = 0.026*[# 11]+0.026*[# 12]+0.005*[# 5]+0.005*[# 7]+0.004*[# 2]+
+0.004*[# 10]+0.003*[# 1]+0.003*[# 6]+0.002*[# 3]+0.002*[# 9]+
|psi|^2 = 0.083
==== e( 13) = 7.42685 eV ====
psi =
|psi|^2 = 0.000
==== e( 14) = 8.08959 eV ====
psi = 0.032*[# 11]+0.032*[# 12]+0.002*[# 1]+0.002*[# 2]+0.002*[# 10]+
+0.002*[# 3]+0.002*[# 9]+0.001*[# 5]+0.001*[# 7]+
|psi|^2 = 0.076
==== e( 15) = 8.25801 eV ====
psi =
|psi|^2 = 0.000
==== e( 16) = 9.14010 eV ====
psi = 0.019*[# 11]+0.019*[# 12]+0.003*[# 5]+0.003*[# 7]+0.002*[# 4]+
+0.002*[# 8]+0.001*[# 6]+
|psi|^2 = 0.051
==== e( 17) = 9.79260 eV ====
psi =
|psi|^2 = 0.000
==== e( 18) = 10.48468 eV ====
psi =
|psi|^2 = 0.000
==== e( 19) = 12.10637 eV ====
psi = 0.004*[# 6]+0.003*[# 5]+0.003*[# 7]+0.002*[# 11]+0.002*[# 12]+
|psi|^2 = 0.016
==== e( 20) = 12.69853 eV ====
psi = 0.034*[# 11]+0.034*[# 12]+0.006*[# 4]+0.006*[# 8]+0.002*[# 1]+
+0.001*[# 6]+0.001*[# 5]+0.001*[# 7]+
|psi|^2 = 0.088
k = 0.0000000000 0.0000000000 0.1500000000
==== e( 1) = -14.97134 eV ====
psi = 0.101*[# 6]+0.097*[# 5]+0.097*[# 7]+0.089*[# 4]+0.089*[# 8]+
+0.082*[# 3]+0.082*[# 9]+0.079*[# 2]+0.079*[# 10]+0.078*[# 1]+
+0.006*[# 11]+0.006*[# 12]+
|psi|^2 = 0.886
==== e( 2) = -13.89435 eV ====
psi = 0.099*[# 1]+0.096*[# 2]+0.096*[# 10]+0.089*[# 3]+0.089*[# 9]+
+0.086*[# 4]+0.086*[# 8]+0.085*[# 5]+0.085*[# 6]+0.085*[# 7]+
+0.007*[# 11]+0.007*[# 12]+
|psi|^2 = 0.910
==== e( 3) = -10.68143 eV ====
psi = 0.102*[# 3]+0.102*[# 9]+0.096*[# 4]+0.096*[# 8]+0.095*[# 2]+
+0.095*[# 10]+0.088*[# 1]+0.085*[# 5]+0.085*[# 7]+0.082*[# 6]+
+0.020*[# 11]+0.020*[# 12]+
|psi|^2 = 0.964
==== e( 4) = -7.74091 eV ====
psi = 0.201*[# 11]+0.201*[# 12]+0.083*[# 1]+0.082*[# 4]+0.082*[# 8]+
+0.054*[# 2]+0.054*[# 10]+0.052*[# 5]+0.052*[# 7]+0.052*[# 3]+
+0.052*[# 9]+0.021*[# 6]+
|psi|^2 = 0.989
==== e( 5) = -6.70814 eV ====
psi = 0.259*[# 11]+0.259*[# 12]+0.086*[# 6]+0.061*[# 5]+0.061*[# 7]+
+0.050*[# 2]+0.050*[# 10]+0.048*[# 3]+0.048*[# 9]+0.025*[# 4]+
+0.025*[# 8]+0.022*[# 1]+
|psi|^2 = 0.993
==== e( 6) = -0.74764 eV ====
psi = 0.102*[# 1]+0.100*[# 3]+0.100*[# 9]+0.099*[# 4]+0.099*[# 6]+
+0.099*[# 8]+0.097*[# 5]+0.097*[# 7]+0.094*[# 2]+0.094*[# 10]+
+0.008*[# 11]+0.008*[# 12]+
|psi|^2 = 0.998
==== e( 7) = 1.86791 eV ====
psi = 0.145*[# 11]+0.145*[# 12]+0.018*[# 1]+0.017*[# 2]+0.017*[# 10]+
+0.010*[# 3]+0.010*[# 9]+0.006*[# 4]+0.006*[# 8]+
|psi|^2 = 0.375
==== e( 8) = 3.58302 eV ====
psi = 0.098*[# 11]+0.098*[# 12]+0.010*[# 6]+0.009*[# 2]+0.009*[# 10]+
+0.006*[# 5]+0.006*[# 7]+0.006*[# 3]+0.006*[# 9]+0.004*[# 1]+
+0.002*[# 4]+0.002*[# 8]+
|psi|^2 = 0.257
==== e( 9) = 4.65459 eV ====
psi = 0.094*[# 4]+0.094*[# 8]+0.089*[# 3]+0.089*[# 9]+0.082*[# 2]+
+0.082*[# 10]+0.073*[# 5]+0.073*[# 7]+0.066*[# 6]+0.058*[# 1]+
+0.022*[# 11]+0.022*[# 12]+
|psi|^2 = 0.843
==== e( 10) = 5.30205 eV ====
psi = 0.076*[# 11]+0.076*[# 12]+0.040*[# 1]+0.034*[# 6]+0.022*[# 5]+
+0.022*[# 7]+0.015*[# 2]+0.015*[# 10]+0.013*[# 3]+0.013*[# 9]+
+0.010*[# 4]+0.010*[# 8]+
|psi|^2 = 0.347
==== e( 11) = 6.22907 eV ====
psi =
|psi|^2 = 0.000
==== e( 12) = 6.48847 eV ====
psi = 0.021*[# 11]+0.021*[# 12]+0.003*[# 5]+0.003*[# 7]+0.003*[# 2]+
+0.003*[# 10]+0.002*[# 1]+0.002*[# 3]+0.002*[# 9]+0.001*[# 6]+
|psi|^2 = 0.063
==== e( 13) = 7.33619 eV ====
psi =
|psi|^2 = 0.000
==== e( 14) = 7.92729 eV ====
psi = 0.028*[# 11]+0.028*[# 12]+0.002*[# 1]+0.002*[# 2]+0.002*[# 10]+
+0.001*[# 3]+0.001*[# 9]+
|psi|^2 = 0.066
==== e( 15) = 8.27880 eV ====
psi =
|psi|^2 = 0.000
==== e( 16) = 9.29921 eV ====
psi = 0.020*[# 11]+0.020*[# 12]+0.003*[# 5]+0.003*[# 7]+0.002*[# 4]+
+0.002*[# 8]+0.001*[# 6]+
|psi|^2 = 0.052
==== e( 17) = 9.71387 eV ====
psi =
|psi|^2 = 0.000
==== e( 18) = 10.65795 eV ====
psi =
|psi|^2 = 0.000
==== e( 19) = 12.08479 eV ====
psi = 0.005*[# 6]+0.003*[# 5]+0.003*[# 7]+0.002*[# 11]+0.002*[# 12]+
|psi|^2 = 0.014
==== e( 20) = 12.67598 eV ====
psi = 0.031*[# 11]+0.031*[# 12]+0.005*[# 4]+0.005*[# 8]+0.002*[# 5]+
+0.002*[# 7]+0.001*[# 1]+
|psi|^2 = 0.080
k = 0.0000000000 0.0000000000 0.1625000000
==== e( 1) = -14.92961 eV ====
psi = 0.102*[# 6]+0.098*[# 5]+0.098*[# 7]+0.090*[# 4]+0.090*[# 8]+
+0.082*[# 3]+0.082*[# 9]+0.078*[# 2]+0.078*[# 10]+0.078*[# 1]+
+0.006*[# 11]+0.006*[# 12]+
|psi|^2 = 0.888
==== e( 2) = -13.98642 eV ====
psi = 0.099*[# 1]+0.096*[# 2]+0.096*[# 10]+0.090*[# 3]+0.090*[# 9]+
+0.085*[# 4]+0.085*[# 8]+0.084*[# 5]+0.084*[# 7]+0.084*[# 6]+
+0.007*[# 11]+0.007*[# 12]+
|psi|^2 = 0.908
==== e( 3) = -10.50747 eV ====
psi = 0.102*[# 3]+0.102*[# 9]+0.095*[# 2]+0.095*[# 4]+0.095*[# 8]+
+0.095*[# 10]+0.088*[# 1]+0.085*[# 5]+0.085*[# 7]+0.082*[# 6]+
+0.022*[# 11]+0.022*[# 12]+
|psi|^2 = 0.966
==== e( 4) = -7.89118 eV ====
psi = 0.154*[# 11]+0.154*[# 12]+0.092*[# 1]+0.092*[# 4]+0.092*[# 8]+
+0.064*[# 2]+0.064*[# 10]+0.062*[# 5]+0.062*[# 7]+0.061*[# 3]+
+0.061*[# 9]+0.030*[# 6]+
|psi|^2 = 0.988
==== e( 5) = -6.78255 eV ====
psi = 0.305*[# 11]+0.305*[# 12]+0.077*[# 6]+0.051*[# 5]+0.051*[# 7]+
+0.040*[# 2]+0.040*[# 10]+0.038*[# 3]+0.038*[# 9]+0.016*[# 4]+
+0.016*[# 8]+0.014*[# 1]+
|psi|^2 = 0.992
==== e( 6) = -0.43444 eV ====
psi = 0.102*[# 1]+0.099*[# 3]+0.099*[# 9]+0.099*[# 4]+0.099*[# 8]+
+0.098*[# 6]+0.097*[# 5]+0.097*[# 7]+0.094*[# 2]+0.094*[# 10]+
+0.009*[# 11]+0.009*[# 12]+
|psi|^2 = 0.997
==== e( 7) = 1.83819 eV ====
psi = 0.147*[# 11]+0.147*[# 12]+0.018*[# 2]+0.018*[# 10]+0.017*[# 1]+
+0.010*[# 3]+0.010*[# 9]+0.006*[# 4]+0.006*[# 8]+
|psi|^2 = 0.382
==== e( 8) = 3.66244 eV ====
psi = 0.084*[# 11]+0.084*[# 12]+0.012*[# 6]+0.009*[# 2]+0.009*[# 10]+
+0.007*[# 5]+0.007*[# 7]+0.006*[# 3]+0.006*[# 9]+0.003*[# 1]+
+0.002*[# 4]+0.002*[# 8]+
|psi|^2 = 0.231
==== e( 9) = 4.32259 eV ====
psi = 0.100*[# 4]+0.100*[# 8]+0.097*[# 3]+0.097*[# 9]+0.089*[# 2]+
+0.089*[# 10]+0.081*[# 5]+0.081*[# 7]+0.079*[# 6]+0.070*[# 1]+
+0.012*[# 11]+0.012*[# 12]+
|psi|^2 = 0.909
==== e( 10) = 5.26058 eV ====
psi = 0.105*[# 11]+0.105*[# 12]+0.030*[# 1]+0.021*[# 6]+0.014*[# 5]+
+0.014*[# 7]+0.008*[# 2]+0.008*[# 10]+0.006*[# 3]+0.006*[# 9]+
+0.004*[# 4]+0.004*[# 8]+
|psi|^2 = 0.326
==== e( 11) = 6.26933 eV ====
psi =
|psi|^2 = 0.000
==== e( 12) = 6.47396 eV ====
psi = 0.015*[# 11]+0.015*[# 12]+0.002*[# 2]+0.002*[# 5]+0.002*[# 7]+
+0.002*[# 10]+0.001*[# 3]+0.001*[# 9]+
|psi|^2 = 0.046
==== e( 13) = 7.24824 eV ====
psi =
|psi|^2 = 0.000
==== e( 14) = 7.76866 eV ====
psi = 0.024*[# 11]+0.024*[# 12]+0.002*[# 1]+0.002*[# 2]+0.002*[# 10]+
+0.001*[# 3]+0.001*[# 9]+
|psi|^2 = 0.058
==== e( 15) = 8.30120 eV ====
psi =
|psi|^2 = 0.000
==== e( 16) = 9.46327 eV ====
psi = 0.019*[# 11]+0.019*[# 12]+0.003*[# 5]+0.003*[# 7]+0.002*[# 4]+
+0.002*[# 8]+0.002*[# 6]+
|psi|^2 = 0.051
==== e( 17) = 9.64040 eV ====
psi =
|psi|^2 = 0.000
==== e( 18) = 10.83538 eV ====
psi =
|psi|^2 = 0.000
==== e( 19) = 11.97982 eV ====
psi = 0.006*[# 11]+0.006*[# 12]+0.004*[# 6]+0.003*[# 5]+0.003*[# 7]+
|psi|^2 = 0.022
==== e( 20) = 12.71383 eV ====
psi = 0.024*[# 11]+0.024*[# 12]+0.004*[# 4]+0.004*[# 8]+0.003*[# 5]+
+0.003*[# 7]+
|psi|^2 = 0.064
k = 0.0000000000 0.0000000000 0.1750000000
==== e( 1) = -14.88461 eV ====
psi = 0.103*[# 6]+0.099*[# 5]+0.099*[# 7]+0.090*[# 4]+0.090*[# 8]+
+0.082*[# 3]+0.082*[# 9]+0.078*[# 2]+0.078*[# 10]+0.076*[# 1]+
+0.006*[# 11]+0.006*[# 12]+
|psi|^2 = 0.889
==== e( 2) = -14.07505 eV ====
psi = 0.100*[# 1]+0.097*[# 2]+0.097*[# 10]+0.090*[# 3]+0.090*[# 9]+
+0.085*[# 4]+0.085*[# 8]+0.083*[# 5]+0.083*[# 7]+0.082*[# 6]+
+0.007*[# 11]+0.007*[# 12]+
|psi|^2 = 0.905
==== e( 3) = -10.33071 eV ====
psi = 0.103*[# 3]+0.103*[# 9]+0.095*[# 2]+0.095*[# 10]+0.094*[# 4]+
+0.094*[# 8]+0.087*[# 1]+0.084*[# 5]+0.084*[# 7]+0.082*[# 6]+
+0.024*[# 11]+0.024*[# 12]+
|psi|^2 = 0.968
==== e( 4) = -8.05886 eV ====
psi = 0.118*[# 11]+0.118*[# 12]+0.099*[# 1]+0.099*[# 4]+0.099*[# 8]+
+0.071*[# 2]+0.071*[# 10]+0.070*[# 5]+0.070*[# 7]+0.067*[# 3]+
+0.067*[# 9]+0.037*[# 6]+
|psi|^2 = 0.987
==== e( 5) = -6.83559 eV ====
psi = 0.340*[# 11]+0.340*[# 12]+0.070*[# 6]+0.044*[# 5]+0.044*[# 7]+
+0.033*[# 2]+0.033*[# 10]+0.031*[# 3]+0.031*[# 9]+0.010*[# 4]+
+0.010*[# 8]+0.009*[# 1]+
|psi|^2 = 0.992
==== e( 6) = -0.11823 eV ====
psi = 0.103*[# 1]+0.099*[# 3]+0.099*[# 9]+0.098*[# 4]+0.098*[# 8]+
+0.097*[# 5]+0.097*[# 7]+0.097*[# 6]+0.093*[# 2]+0.093*[# 10]+
+0.010*[# 11]+0.010*[# 12]+
|psi|^2 = 0.996
==== e( 7) = 1.81253 eV ====
psi = 0.149*[# 11]+0.149*[# 12]+0.018*[# 2]+0.018*[# 10]+0.017*[# 1]+
+0.011*[# 3]+0.011*[# 9]+0.007*[# 4]+0.007*[# 8]+
|psi|^2 = 0.388
==== e( 8) = 3.73750 eV ====
psi = 0.070*[# 11]+0.070*[# 12]+0.015*[# 6]+0.010*[# 2]+0.010*[# 10]+
+0.007*[# 5]+0.007*[# 7]+0.006*[# 3]+0.006*[# 9]+0.002*[# 1]+
+0.002*[# 4]+0.002*[# 8]+
|psi|^2 = 0.207
==== e( 9) = 3.97699 eV ====
psi = 0.103*[# 4]+0.103*[# 8]+0.101*[# 3]+0.101*[# 9]+0.091*[# 2]+
+0.091*[# 10]+0.085*[# 5]+0.085*[# 7]+0.083*[# 6]+0.076*[# 1]+
+0.007*[# 11]+0.007*[# 12]+
|psi|^2 = 0.931
==== e( 10) = 5.22950 eV ====
psi = 0.130*[# 11]+0.130*[# 12]+0.025*[# 1]+0.014*[# 6]+0.011*[# 5]+
+0.011*[# 7]+0.006*[# 2]+0.006*[# 10]+0.003*[# 3]+0.003*[# 9]+
+0.002*[# 4]+0.002*[# 8]+
|psi|^2 = 0.344
==== e( 11) = 6.31224 eV ====
psi =
|psi|^2 = 0.000
==== e( 12) = 6.47819 eV ====
psi = 0.010*[# 11]+0.010*[# 12]+0.002*[# 2]+0.002*[# 10]+0.002*[# 5]+
+0.002*[# 7]+0.001*[# 3]+0.001*[# 9]+
|psi|^2 = 0.032
==== e( 13) = 7.16358 eV ====
psi =
|psi|^2 = 0.000
==== e( 14) = 7.61525 eV ====
psi = 0.021*[# 11]+0.021*[# 12]+0.002*[# 1]+0.002*[# 2]+0.002*[# 10]+
+0.001*[# 3]+0.001*[# 9]+
|psi|^2 = 0.050
==== e( 15) = 8.32418 eV ====
psi =
|psi|^2 = 0.000
==== e( 16) = 9.57324 eV ====
psi =
|psi|^2 = 0.000
==== e( 17) = 9.63080 eV ====
psi = 0.019*[# 11]+0.019*[# 12]+0.003*[# 5]+0.003*[# 7]+0.002*[# 4]+
+0.002*[# 8]+0.002*[# 6]+
|psi|^2 = 0.050
==== e( 18) = 11.01658 eV ====
psi =
|psi|^2 = 0.000
==== e( 19) = 11.83080 eV ====
psi = 0.010*[# 11]+0.010*[# 12]+0.004*[# 6]+0.002*[# 5]+0.002*[# 7]+
|psi|^2 = 0.031
==== e( 20) = 12.77492 eV ====
psi = 0.017*[# 11]+0.017*[# 12]+0.003*[# 4]+0.003*[# 5]+0.003*[# 7]+
+0.003*[# 8]+0.001*[# 6]+
|psi|^2 = 0.049
k = 0.0000000000 0.0000000000 0.1875000000
==== e( 1) = -14.83640 eV ====
psi = 0.105*[# 6]+0.101*[# 5]+0.101*[# 7]+0.091*[# 4]+0.091*[# 8]+
+0.081*[# 3]+0.081*[# 9]+0.076*[# 2]+0.076*[# 10]+0.075*[# 1]+
+0.006*[# 11]+0.006*[# 12]+
|psi|^2 = 0.891
==== e( 2) = -14.16019 eV ====
psi = 0.102*[# 1]+0.098*[# 2]+0.098*[# 10]+0.090*[# 3]+0.090*[# 9]+
+0.084*[# 4]+0.084*[# 8]+0.081*[# 5]+0.081*[# 7]+0.080*[# 6]+
+0.006*[# 11]+0.006*[# 12]+
|psi|^2 = 0.903
==== e( 3) = -10.15137 eV ====
psi = 0.104*[# 3]+0.104*[# 9]+0.095*[# 2]+0.095*[# 10]+0.092*[# 4]+
+0.092*[# 8]+0.085*[# 1]+0.083*[# 5]+0.083*[# 6]+0.083*[# 7]+
+0.026*[# 11]+0.026*[# 12]+
|psi|^2 = 0.970
==== e( 4) = -8.23815 eV ====
psi = 0.104*[# 1]+0.104*[# 4]+0.104*[# 8]+0.090*[# 11]+0.090*[# 12]+
+0.077*[# 5]+0.077*[# 7]+0.076*[# 2]+0.076*[# 10]+0.072*[# 3]+
+0.072*[# 9]+0.043*[# 6]+
|psi|^2 = 0.986
==== e( 5) = -6.87287 eV ====
psi = 0.365*[# 11]+0.365*[# 12]+0.064*[# 6]+0.038*[# 5]+0.038*[# 7]+
+0.027*[# 2]+0.027*[# 10]+0.025*[# 3]+0.025*[# 9]+0.006*[# 4]+
+0.006*[# 8]+0.005*[# 1]+
|psi|^2 = 0.992
==== e( 6) = 0.20057 eV ====
psi = 0.105*[# 1]+0.098*[# 5]+0.098*[# 7]+0.098*[# 3]+0.098*[# 9]+
+0.097*[# 4]+0.097*[# 8]+0.096*[# 6]+0.092*[# 2]+0.092*[# 10]+
+0.012*[# 11]+0.012*[# 12]+
|psi|^2 = 0.995
==== e( 7) = 1.79116 eV ====
psi = 0.150*[# 11]+0.150*[# 12]+0.019*[# 2]+0.019*[# 10]+0.017*[# 1]+
+0.011*[# 3]+0.011*[# 9]+0.008*[# 4]+0.008*[# 8]+0.002*[# 6]+
|psi|^2 = 0.395
==== e( 8) = 3.62757 eV ====
psi = 0.103*[# 3]+0.103*[# 9]+0.101*[# 4]+0.101*[# 8]+0.096*[# 2]+
+0.096*[# 10]+0.092*[# 6]+0.086*[# 5]+0.086*[# 7]+0.076*[# 1]+
+0.006*[# 11]+0.006*[# 12]+
|psi|^2 = 0.952
==== e( 9) = 3.80744 eV ====
psi = 0.053*[# 11]+0.053*[# 12]+0.011*[# 6]+0.008*[# 5]+0.008*[# 7]+
+0.006*[# 2]+0.006*[# 10]+0.006*[# 3]+0.006*[# 9]+0.004*[# 4]+
+0.004*[# 8]+0.004*[# 1]+
|psi|^2 = 0.169
==== e( 10) = 5.20025 eV ====
psi = 0.153*[# 11]+0.153*[# 12]+0.023*[# 1]+0.010*[# 5]+0.010*[# 6]+
+0.010*[# 7]+0.005*[# 2]+0.005*[# 10]+0.002*[# 3]+0.002*[# 9]+
+0.001*[# 4]+0.001*[# 8]+
|psi|^2 = 0.375
==== e( 11) = 6.35743 eV ====
psi =
|psi|^2 = 0.000
==== e( 12) = 6.50054 eV ====
psi = 0.006*[# 11]+0.006*[# 12]+0.002*[# 2]+0.002*[# 10]+0.001*[# 3]+
+0.001*[# 9]+0.001*[# 5]+0.001*[# 7]+
|psi|^2 = 0.021
==== e( 13) = 7.08282 eV ====
psi =
|psi|^2 = 0.000
==== e( 14) = 7.46806 eV ====
psi = 0.017*[# 11]+0.017*[# 12]+0.002*[# 1]+0.002*[# 2]+0.002*[# 10]+
+0.001*[# 3]+0.001*[# 9]+
|psi|^2 = 0.043
==== e( 15) = 8.34671 eV ====
psi =
|psi|^2 = 0.000
==== e( 16) = 9.51339 eV ====
psi =
|psi|^2 = 0.000
==== e( 17) = 9.80084 eV ====
psi = 0.018*[# 11]+0.018*[# 12]+0.003*[# 5]+0.003*[# 7]+0.002*[# 4]+
+0.002*[# 6]+0.002*[# 8]+
|psi|^2 = 0.048
==== e( 18) = 11.20138 eV ====
psi =
|psi|^2 = 0.000
==== e( 19) = 11.66280 eV ====
psi = 0.013*[# 11]+0.013*[# 12]+0.003*[# 6]+0.002*[# 5]+0.002*[# 7]+
+0.001*[# 4]+0.001*[# 8]+
|psi|^2 = 0.038
==== e( 20) = 12.83633 eV ====
psi = 0.012*[# 11]+0.012*[# 12]+0.003*[# 5]+0.003*[# 7]+0.002*[# 6]+
+0.002*[# 4]+0.002*[# 8]+
|psi|^2 = 0.037
k = 0.0000000000 0.0000000000 0.2000000000
==== e( 1) = -14.78508 eV ====
psi = 0.108*[# 6]+0.103*[# 5]+0.103*[# 7]+0.092*[# 4]+0.092*[# 8]+
+0.080*[# 3]+0.080*[# 9]+0.074*[# 2]+0.074*[# 10]+0.072*[# 1]+
+0.007*[# 11]+0.007*[# 12]+
|psi|^2 = 0.892
==== e( 2) = -14.24171 eV ====
psi = 0.104*[# 1]+0.100*[# 2]+0.100*[# 10]+0.091*[# 3]+0.091*[# 9]+
+0.083*[# 4]+0.083*[# 8]+0.079*[# 5]+0.079*[# 7]+0.077*[# 6]+
+0.006*[# 11]+0.006*[# 12]+
|psi|^2 = 0.901
==== e( 3) = -9.96976 eV ====
psi = 0.105*[# 3]+0.105*[# 9]+0.096*[# 2]+0.096*[# 10]+0.090*[# 4]+
+0.090*[# 8]+0.084*[# 6]+0.083*[# 1]+0.081*[# 5]+0.081*[# 7]+
+0.029*[# 11]+0.029*[# 12]+
|psi|^2 = 0.972
==== e( 4) = -8.42426 eV ====
psi = 0.109*[# 1]+0.109*[# 4]+0.109*[# 8]+0.083*[# 5]+0.083*[# 7]+
+0.080*[# 2]+0.080*[# 10]+0.074*[# 3]+0.074*[# 9]+0.070*[# 11]+
+0.070*[# 12]+0.047*[# 6]+
|psi|^2 = 0.984
==== e( 5) = -6.89879 eV ====
psi = 0.382*[# 11]+0.382*[# 12]+0.059*[# 6]+0.034*[# 5]+0.034*[# 7]+
+0.023*[# 2]+0.023*[# 10]+0.022*[# 3]+0.022*[# 9]+0.003*[# 4]+
+0.003*[# 8]+0.003*[# 1]+
|psi|^2 = 0.992
==== e( 6) = 0.52116 eV ====
psi = 0.107*[# 1]+0.098*[# 5]+0.098*[# 7]+0.096*[# 3]+0.096*[# 9]+
+0.096*[# 4]+0.096*[# 8]+0.093*[# 6]+0.091*[# 2]+0.091*[# 10]+
+0.014*[# 11]+0.014*[# 12]+
|psi|^2 = 0.992
==== e( 7) = 1.77465 eV ====
psi = 0.149*[# 11]+0.149*[# 12]+0.021*[# 2]+0.021*[# 10]+0.016*[# 1]+
+0.012*[# 3]+0.012*[# 9]+0.010*[# 4]+0.010*[# 8]+0.004*[# 6]+
|psi|^2 = 0.403
==== e( 8) = 3.27974 eV ====
psi = 0.104*[# 3]+0.104*[# 9]+0.102*[# 4]+0.102*[# 8]+0.095*[# 2]+
+0.095*[# 10]+0.092*[# 6]+0.087*[# 5]+0.087*[# 7]+0.077*[# 1]+
+0.003*[# 11]+0.003*[# 12]+
|psi|^2 = 0.953
==== e( 9) = 3.86902 eV ====
psi = 0.039*[# 11]+0.039*[# 12]+0.015*[# 6]+0.008*[# 5]+0.008*[# 7]+
+0.007*[# 2]+0.007*[# 10]+0.005*[# 3]+0.005*[# 9]+0.003*[# 4]+
+0.003*[# 8]+0.002*[# 1]+
|psi|^2 = 0.143
==== e( 10) = 5.17194 eV ====
psi = 0.174*[# 11]+0.174*[# 12]+0.023*[# 1]+0.008*[# 5]+0.008*[# 7]+
+0.006*[# 6]+0.005*[# 2]+0.005*[# 10]+0.001*[# 3]+0.001*[# 9]+
|psi|^2 = 0.408
==== e( 11) = 6.40421 eV ====
psi =
|psi|^2 = 0.000
==== e( 12) = 6.53992 eV ====
psi = 0.002*[# 11]+0.002*[# 12]+0.002*[# 2]+0.001*[# 3]+0.001*[# 9]+
+0.002*[# 10]+
|psi|^2 = 0.013
==== e( 13) = 7.00680 eV ====
psi =
|psi|^2 = 0.000
==== e( 14) = 7.32793 eV ====
psi = 0.014*[# 11]+0.014*[# 12]+0.001*[# 1]+0.001*[# 2]+0.001*[# 10]+
+0.001*[# 3]+0.001*[# 9]+
|psi|^2 = 0.036
==== e( 15) = 8.36767 eV ====
psi =
|psi|^2 = 0.000
==== e( 16) = 9.46195 eV ====
psi =
|psi|^2 = 0.000
==== e( 17) = 9.97254 eV ====
psi = 0.016*[# 11]+0.016*[# 12]+0.003*[# 5]+0.003*[# 7]+0.002*[# 6]+
+0.002*[# 4]+0.002*[# 8]+
|psi|^2 = 0.044
==== e( 18) = 11.38968 eV ====
psi =
|psi|^2 = 0.000
==== e( 19) = 11.48721 eV ====
psi = 0.016*[# 11]+0.016*[# 12]+0.002*[# 5]+0.002*[# 6]+0.002*[# 7]+
+0.002*[# 4]+0.002*[# 8]+
|psi|^2 = 0.043
==== e( 20) = 12.88940 eV ====
psi = 0.007*[# 11]+0.007*[# 12]+0.003*[# 5]+0.003*[# 6]+0.003*[# 7]+
+0.002*[# 4]+0.002*[# 8]+
|psi|^2 = 0.027
k = 0.0000000000 0.0000000000 0.2125000000
==== e( 1) = -14.73090 eV ====
psi = 0.113*[# 6]+0.107*[# 5]+0.107*[# 7]+0.093*[# 4]+0.093*[# 8]+
+0.079*[# 3]+0.079*[# 9]+0.070*[# 2]+0.070*[# 10]+0.068*[# 1]+
+0.007*[# 11]+0.007*[# 12]+
|psi|^2 = 0.894
==== e( 2) = -14.31939 eV ====
psi = 0.109*[# 1]+0.104*[# 2]+0.104*[# 10]+0.093*[# 3]+0.093*[# 9]+
+0.082*[# 4]+0.082*[# 8]+0.075*[# 5]+0.075*[# 7]+0.072*[# 6]+
+0.005*[# 11]+0.005*[# 12]+
|psi|^2 = 0.898
==== e( 3) = -9.78656 eV ====
psi = 0.108*[# 3]+0.108*[# 9]+0.097*[# 2]+0.097*[# 10]+0.087*[# 4]+
+0.087*[# 8]+0.086*[# 6]+0.079*[# 5]+0.079*[# 7]+0.079*[# 1]+
+0.034*[# 11]+0.034*[# 12]+
|psi|^2 = 0.973
==== e( 4) = -8.61345 eV ====
psi = 0.114*[# 1]+0.114*[# 4]+0.114*[# 8]+0.088*[# 5]+0.088*[# 7]+
+0.081*[# 2]+0.081*[# 10]+0.073*[# 3]+0.073*[# 9]+0.055*[# 11]+
+0.055*[# 12]+0.048*[# 6]+
|psi|^2 = 0.983
==== e( 5) = -6.91654 eV ====
psi = 0.393*[# 11]+0.393*[# 12]+0.056*[# 6]+0.032*[# 5]+0.032*[# 7]+
+0.021*[# 2]+0.021*[# 10]+0.019*[# 3]+0.019*[# 9]+0.002*[# 4]+
+0.002*[# 8]+0.001*[# 1]+
|psi|^2 = 0.992
==== e( 6) = 0.84153 eV ====
psi = 0.112*[# 1]+0.099*[# 5]+0.099*[# 7]+0.094*[# 3]+0.094*[# 9]+
+0.092*[# 4]+0.092*[# 8]+0.089*[# 6]+0.088*[# 2]+0.088*[# 10]+
+0.020*[# 11]+0.020*[# 12]+
|psi|^2 = 0.987
==== e( 7) = 1.76395 eV ====
psi = 0.145*[# 11]+0.145*[# 12]+0.025*[# 2]+0.025*[# 10]+0.014*[# 4]+
+0.014*[# 8]+0.014*[# 1]+0.013*[# 3]+0.013*[# 9]+0.008*[# 6]+
|psi|^2 = 0.416
==== e( 8) = 2.93487 eV ====
psi = 0.106*[# 3]+0.106*[# 9]+0.102*[# 4]+0.102*[# 8]+0.095*[# 2]+
+0.095*[# 10]+0.093*[# 6]+0.087*[# 5]+0.087*[# 7]+0.076*[# 1]+
+0.002*[# 11]+0.002*[# 12]+
|psi|^2 = 0.952
==== e( 9) = 3.92072 eV ====
psi = 0.026*[# 11]+0.026*[# 12]+0.016*[# 6]+0.009*[# 5]+0.009*[# 7]+
+0.008*[# 2]+0.008*[# 10]+0.005*[# 3]+0.005*[# 9]+0.003*[# 4]+
+0.003*[# 8]+0.001*[# 1]+
|psi|^2 = 0.118
==== e( 10) = 5.14545 eV ====
psi = 0.193*[# 11]+0.193*[# 12]+0.022*[# 1]+0.008*[# 5]+0.008*[# 7]+
+0.004*[# 2]+0.004*[# 10]+0.004*[# 6]+
|psi|^2 = 0.439
==== e( 11) = 6.45122 eV ====
psi =
|psi|^2 = 0.000
==== e( 12) = 6.59487 eV ====
psi = 0.002*[# 2]+0.002*[# 3]+0.002*[# 9]+0.002*[# 10]+
|psi|^2 = 0.009
==== e( 13) = 6.93697 eV ====
psi =
|psi|^2 = 0.000
==== e( 14) = 7.19562 eV ====
psi = 0.011*[# 11]+0.011*[# 12]+0.001*[# 2]+0.001*[# 10]+0.001*[# 1]+
+0.001*[# 3]+0.001*[# 9]+
|psi|^2 = 0.029
==== e( 15) = 8.38585 eV ====
psi =
|psi|^2 = 0.000
==== e( 16) = 9.42009 eV ====
psi =
|psi|^2 = 0.000
==== e( 17) = 10.14390 eV ====
psi = 0.015*[# 11]+0.015*[# 12]+0.003*[# 5]+0.003*[# 7]+0.002*[# 6]+
+0.001*[# 4]+0.001*[# 8]+
|psi|^2 = 0.040
==== e( 18) = 11.31002 eV ====
psi = 0.019*[# 11]+0.019*[# 12]+0.002*[# 5]+0.002*[# 7]+0.002*[# 6]+
+0.002*[# 4]+0.002*[# 8]+
|psi|^2 = 0.049
==== e( 19) = 11.58140 eV ====
psi =
|psi|^2 = 0.000
==== e( 20) = 12.80339 eV ====
psi =
|psi|^2 = 0.000
k = 0.0000000000 0.0000000000 0.2250000000
==== e( 1) = -14.67641 eV ====
psi = 0.122*[# 6]+0.114*[# 5]+0.114*[# 7]+0.096*[# 4]+0.096*[# 8]+
+0.076*[# 3]+0.076*[# 9]+0.064*[# 2]+0.064*[# 10]+0.059*[# 1]+
+0.008*[# 11]+0.008*[# 12]+
|psi|^2 = 0.897
==== e( 2) = -14.39259 eV ====
psi = 0.117*[# 1]+0.111*[# 2]+0.111*[# 10]+0.095*[# 3]+0.095*[# 9]+
+0.079*[# 4]+0.079*[# 8]+0.067*[# 5]+0.067*[# 7]+0.063*[# 6]+
+0.005*[# 11]+0.005*[# 12]+
|psi|^2 = 0.895
==== e( 3) = -9.60348 eV ====
psi = 0.114*[# 3]+0.114*[# 9]+0.098*[# 2]+0.098*[# 10]+0.091*[# 6]+
+0.080*[# 4]+0.080*[# 8]+0.075*[# 5]+0.075*[# 7]+0.070*[# 1]+
+0.040*[# 11]+0.040*[# 12]+
|psi|^2 = 0.975
==== e( 4) = -8.80213 eV ====
psi = 0.124*[# 1]+0.121*[# 4]+0.121*[# 8]+0.094*[# 5]+0.094*[# 7]+
+0.081*[# 2]+0.081*[# 10]+0.069*[# 3]+0.069*[# 9]+0.045*[# 6]+
+0.041*[# 11]+0.041*[# 12]+
|psi|^2 = 0.982
==== e( 5) = -6.92871 eV ====
psi = 0.401*[# 11]+0.401*[# 12]+0.054*[# 6]+0.030*[# 5]+0.030*[# 7]+
+0.019*[# 2]+0.019*[# 10]+0.018*[# 3]+0.018*[# 9]+
|psi|^2 = 0.992
==== e( 6) = 1.15547 eV ====
psi = 0.121*[# 1]+0.100*[# 5]+0.100*[# 7]+0.088*[# 3]+0.088*[# 9]+
+0.083*[# 4]+0.083*[# 8]+0.080*[# 6]+0.079*[# 2]+0.079*[# 10]+
+0.033*[# 11]+0.033*[# 12]+
|psi|^2 = 0.968
==== e( 7) = 1.76344 eV ====
psi = 0.134*[# 11]+0.134*[# 12]+0.035*[# 2]+0.035*[# 10]+0.025*[# 4]+
+0.025*[# 8]+0.019*[# 6]+0.016*[# 3]+0.016*[# 9]+0.009*[# 1]+
|psi|^2 = 0.450
==== e( 8) = 2.59587 eV ====
psi = 0.109*[# 3]+0.109*[# 9]+0.100*[# 4]+0.100*[# 8]+0.094*[# 2]+
+0.094*[# 10]+0.092*[# 6]+0.086*[# 5]+0.086*[# 7]+0.072*[# 1]+
|psi|^2 = 0.941
==== e( 9) = 3.96007 eV ====
psi = 0.017*[# 6]+0.014*[# 11]+0.014*[# 12]+0.009*[# 5]+0.009*[# 7]+
+0.008*[# 2]+0.008*[# 10]+0.005*[# 3]+0.005*[# 9]+0.003*[# 4]+
+0.003*[# 8]+
|psi|^2 = 0.096
==== e( 10) = 5.12367 eV ====
psi = 0.207*[# 11]+0.207*[# 12]+0.022*[# 1]+0.007*[# 5]+0.007*[# 7]+
+0.004*[# 2]+0.004*[# 10]+0.002*[# 6]+
|psi|^2 = 0.465
==== e( 11) = 6.49551 eV ====
psi =
|psi|^2 = 0.000
==== e( 12) = 6.66356 eV ====
psi = 0.002*[# 2]+0.002*[# 3]+0.002*[# 9]+0.002*[# 10]+
|psi|^2 = 0.008
==== e( 13) = 6.87629 eV ====
psi =
|psi|^2 = 0.000
==== e( 14) = 7.07230 eV ====
psi = 0.008*[# 11]+0.008*[# 12]+0.001*[# 2]+0.001*[# 10]+0.001*[# 1]+
+0.001*[# 3]+0.001*[# 9]+
|psi|^2 = 0.023
==== e( 15) = 8.40001 eV ====
psi =
|psi|^2 = 0.000
==== e( 16) = 9.38903 eV ====
psi =
|psi|^2 = 0.000
==== e( 17) = 10.31130 eV ====
psi = 0.012*[# 11]+0.012*[# 12]+0.003*[# 6]+0.003*[# 5]+0.003*[# 7]+
+0.001*[# 4]+0.001*[# 8]+
|psi|^2 = 0.034
==== e( 18) = 11.13736 eV ====
psi = 0.022*[# 11]+0.022*[# 12]+0.003*[# 5]+0.003*[# 7]+0.002*[# 4]+
+0.002*[# 8]+0.002*[# 6]+
|psi|^2 = 0.056
==== e( 19) = 11.77640 eV ====
psi =
|psi|^2 = 0.000
==== e( 20) = 12.59243 eV ====
psi =
|psi|^2 = 0.000
k = 0.0000000000 0.0000000000 0.2375000000
==== e( 1) = -14.62076 eV ====
psi = 0.144*[# 6]+0.132*[# 5]+0.132*[# 7]+0.102*[# 4]+0.102*[# 8]+
+0.070*[# 3]+0.070*[# 9]+0.047*[# 2]+0.047*[# 10]+0.038*[# 1]+
+0.009*[# 11]+0.009*[# 12]+
|psi|^2 = 0.902
==== e( 2) = -14.45831 eV ====
psi = 0.138*[# 1]+0.128*[# 2]+0.128*[# 10]+0.102*[# 3]+0.102*[# 9]+
+0.073*[# 4]+0.073*[# 8]+0.050*[# 5]+0.050*[# 7]+0.040*[# 6]+
+0.003*[# 11]+0.003*[# 12]+
|psi|^2 = 0.891
==== e( 3) = -9.42708 eV ====
psi = 0.130*[# 3]+0.130*[# 9]+0.105*[# 6]+0.103*[# 2]+0.103*[# 10]+
+0.064*[# 5]+0.064*[# 7]+0.063*[# 4]+0.063*[# 8]+0.052*[# 11]+
+0.052*[# 12]+0.049*[# 1]+
|psi|^2 = 0.976
==== e( 4) = -8.98224 eV ====
psi = 0.146*[# 1]+0.139*[# 4]+0.139*[# 8]+0.105*[# 5]+0.105*[# 7]+
+0.078*[# 2]+0.078*[# 10]+0.054*[# 3]+0.054*[# 9]+0.033*[# 6]+
+0.025*[# 11]+0.025*[# 12]+
|psi|^2 = 0.980
==== e( 5) = -6.93517 eV ====
psi = 0.405*[# 11]+0.405*[# 12]+0.053*[# 6]+0.029*[# 5]+0.029*[# 7]+
+0.018*[# 2]+0.018*[# 10]+0.017*[# 3]+0.017*[# 9]+
|psi|^2 = 0.992
==== e( 6) = 1.43379 eV ====
psi = 0.138*[# 1]+0.098*[# 5]+0.098*[# 7]+0.077*[# 11]+0.077*[# 12]+
+0.069*[# 3]+0.069*[# 9]+0.050*[# 2]+0.050*[# 10]+0.050*[# 4]+
+0.050*[# 8]+0.047*[# 6]+
|psi|^2 = 0.872
==== e( 7) = 1.79580 eV ====
psi = 0.088*[# 11]+0.088*[# 12]+0.072*[# 2]+0.072*[# 10]+0.068*[# 4]+
+0.068*[# 8]+0.060*[# 6]+0.029*[# 3]+0.029*[# 9]+0.005*[# 5]+
+0.005*[# 7]+
|psi|^2 = 0.586
==== e( 8) = 2.26978 eV ====
psi = 0.115*[# 3]+0.115*[# 9]+0.090*[# 4]+0.090*[# 8]+0.086*[# 2]+
+0.086*[# 10]+0.085*[# 5]+0.085*[# 7]+0.083*[# 6]+0.064*[# 1]+
+0.002*[# 11]+0.002*[# 12]+
|psi|^2 = 0.903
==== e( 9) = 3.98490 eV ====
psi = 0.018*[# 6]+0.009*[# 5]+0.009*[# 7]+0.008*[# 2]+0.008*[# 10]+
+0.006*[# 11]+0.006*[# 12]+0.005*[# 3]+0.005*[# 9]+0.003*[# 4]+
+0.003*[# 8]+
|psi|^2 = 0.081
==== e( 10) = 5.10936 eV ====
psi = 0.217*[# 11]+0.217*[# 12]+0.022*[# 1]+0.007*[# 5]+0.007*[# 7]+
+0.004*[# 2]+0.004*[# 10]+0.001*[# 4]+0.001*[# 8]+
|psi|^2 = 0.482
==== e( 11) = 6.53072 eV ====
psi =
|psi|^2 = 0.000
==== e( 12) = 6.74267 eV ====
psi = 0.002*[# 2]+0.002*[# 3]+0.002*[# 9]+0.002*[# 10]+
|psi|^2 = 0.009
==== e( 13) = 6.83126 eV ====
psi =
|psi|^2 = 0.000
==== e( 14) = 6.96072 eV ====
psi = 0.006*[# 11]+0.006*[# 12]+
|psi|^2 = 0.017
==== e( 15) = 8.40905 eV ====
psi =
|psi|^2 = 0.000
==== e( 16) = 9.36986 eV ====
psi =
|psi|^2 = 0.000
==== e( 17) = 10.46156 eV ====
psi = 0.007*[# 11]+0.007*[# 12]+0.003*[# 6]+0.002*[# 5]+0.002*[# 7]+
|psi|^2 = 0.023
==== e( 18) = 10.98365 eV ====
psi = 0.028*[# 11]+0.028*[# 12]+0.003*[# 4]+0.003*[# 5]+0.003*[# 7]+
+0.003*[# 8]+
|psi|^2 = 0.067
==== e( 19) = 11.97424 eV ====
psi =
|psi|^2 = 0.000
==== e( 20) = 12.38486 eV ====
psi =
|psi|^2 = 0.000
k = 0.0000000000 0.0000000000 0.2500000000
==== e( 1) = -14.58686 eV ====
psi = 0.185*[# 6]+0.164*[# 5]+0.164*[# 7]+0.113*[# 4]+0.113*[# 8]+
+0.057*[# 3]+0.057*[# 9]+0.015*[# 2]+0.015*[# 10]+0.012*[# 11]+
+0.012*[# 12]+
|psi|^2 = 0.909
==== e( 2) = -14.49558 eV ====
psi = 0.176*[# 1]+0.159*[# 2]+0.159*[# 10]+0.115*[# 3]+0.115*[# 9]+
+0.062*[# 4]+0.062*[# 8]+0.018*[# 5]+0.018*[# 7]+
|psi|^2 = 0.884
==== e( 3) = -9.31619 eV ====
psi = 0.166*[# 3]+0.166*[# 9]+0.138*[# 6]+0.114*[# 2]+0.114*[# 10]+
+0.074*[# 11]+0.074*[# 12]+0.042*[# 5]+0.042*[# 7]+0.025*[# 4]+
+0.025*[# 8]+
|psi|^2 = 0.977
==== e( 4) = -9.09444 eV ====
psi = 0.195*[# 1]+0.177*[# 4]+0.177*[# 8]+0.128*[# 5]+0.128*[# 7]+
+0.067*[# 2]+0.067*[# 10]+0.019*[# 3]+0.019*[# 9]+0.002*[# 11]+
+0.002*[# 12]+
|psi|^2 = 0.980
==== e( 5) = -6.93725 eV ====
psi = 0.406*[# 11]+0.406*[# 12]+0.052*[# 6]+0.029*[# 5]+0.029*[# 7]+
+0.018*[# 2]+0.018*[# 10]+0.017*[# 3]+0.017*[# 9]+
|psi|^2 = 0.992
==== e( 6) = 1.55589 eV ====
psi = 0.141*[# 11]+0.141*[# 12]+0.140*[# 1]+0.081*[# 5]+0.081*[# 7]+
+0.041*[# 3]+0.041*[# 9]+0.009*[# 2]+0.009*[# 10]+0.002*[# 4]+
+0.002*[# 8]+
|psi|^2 = 0.685
==== e( 7) = 1.91390 eV ====
psi = 0.205*[# 4]+0.205*[# 8]+0.191*[# 2]+0.191*[# 10]+0.191*[# 6]+
|psi|^2 = 0.985
==== e( 8) = 2.02442 eV ====
psi = 0.172*[# 3]+0.172*[# 9]+0.106*[# 5]+0.106*[# 7]+0.063*[# 1]+
+0.026*[# 11]+0.026*[# 12]+0.008*[# 2]+0.008*[# 10]+0.002*[# 4]+
+0.002*[# 8]+
|psi|^2 = 0.691
==== e( 9) = 3.99339 eV ====
psi = 0.019*[# 6]+0.010*[# 5]+0.010*[# 7]+0.008*[# 2]+0.008*[# 10]+
+0.005*[# 3]+0.005*[# 9]+0.003*[# 11]+0.003*[# 12]+0.002*[# 4]+
+0.002*[# 8]+
|psi|^2 = 0.075
==== e( 10) = 5.10434 eV ====
psi = 0.220*[# 11]+0.220*[# 12]+0.022*[# 1]+0.007*[# 5]+0.007*[# 7]+
+0.004*[# 2]+0.004*[# 10]+0.001*[# 4]+0.001*[# 8]+
|psi|^2 = 0.488
==== e( 11) = 6.54510 eV ====
psi =
|psi|^2 = 0.000
==== e( 12) = 6.80398 eV ====
psi = 0.003*[# 3]+0.003*[# 9]+0.002*[# 2]+0.002*[# 10]+
|psi|^2 = 0.012
==== e( 13) = 6.81361 eV ====
psi =
|psi|^2 = 0.000
==== e( 14) = 6.88862 eV ====
psi = 0.006*[# 11]+0.006*[# 12]+0.001*[# 1]+
|psi|^2 = 0.013
==== e( 15) = 8.41215 eV ====
psi =
|psi|^2 = 0.000
==== e( 16) = 9.36337 eV ====
psi =
|psi|^2 = 0.000
==== e( 17) = 10.53799 eV ====
psi = 0.004*[# 6]+0.002*[# 5]+0.002*[# 7]+0.001*[# 11]+0.001*[# 12]+
|psi|^2 = 0.012
==== e( 18) = 10.90601 eV ====
psi = 0.033*[# 11]+0.033*[# 12]+0.003*[# 4]+0.003*[# 8]+0.003*[# 5]+
+0.003*[# 7]+
|psi|^2 = 0.079
==== e( 19) = 12.15175 eV ====
psi =
|psi|^2 = 0.000
==== e( 20) = 12.20408 eV ====
psi =
|psi|^2 = 0.000
Lowdin Charges:
Atom # 1: total charge = 0.9013, s = 0.9013,
Atom # 2: total charge = 0.8970, s = 0.8970,
Atom # 3: total charge = 0.9046, s = 0.9046,
Atom # 4: total charge = 0.9128, s = 0.9128,
Atom # 5: total charge = 0.9150, s = 0.9150,
Atom # 6: total charge = 0.9075, s = 0.9075,
Atom # 7: total charge = 0.9150, s = 0.9150,
Atom # 8: total charge = 0.9128, s = 0.9128,
Atom # 9: total charge = 0.9046, s = 0.9046,
Atom # 10: total charge = 0.8970, s = 0.8970,
Atom # 11: total charge = 0.9991, s = 0.9991,
Atom # 12: total charge = 0.9991, s = 0.9991,
Spilling Parameter: 0.0778
PROJWFC : 0.48s CPU 0.48s WALL
This run was terminated on: 10:10:30 8Feb2017
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JOB DONE.
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