GERMANIUM BASIS SETS FOR THE CRYSTAL PROGRAM
============================================

TCM CRYSTAL basis set library: https://vallico.net/mike_towler/crystal.html

Title:    germanium [DURAND pp]
Author:   M. Causa
Use:      Ge
Comments: bulk modulus 85 GPa (expt. 77) a0 5.79 A (5.66)
Refs:     Phys. Rev. B 43, 11937 (1991)

232 2
DURAND
0 1 2 2.0 1.0
 1.223024 -0.271876 -0.050750
 0.253814  0.646354  0.524692
0 1 1 0.0 1.0 
 0.09      1.0       1.0
0 3 1 0.0 1.0
 0.45      1.0
 
Title:    germanium 
Author:   M.D. Towler
When:     September 1995
Use:      Ge
Comments: bulk modulus 81 GPa (expt 77), a0 5.76 A (expt. 5.70) in bulk Ge
Refs:     unpublished

32 7
0 0 9 2.0 0.9352
 2233310.0      0.0000395
  313044.0      0.000348
   64056.8      0.00219
   15552.0      0.0114
    4344.31     0.0483
    1368.86     0.159
     484.106    0.3535
     187.139    0.4229
      74.8445   0.1494
0 1 7 8.0 0.9278
    5165.19    -0.000434  0.00103
    1175.7     -0.00789   0.00978
     351.419   -0.0664    0.0583
     121.338   -0.1465    0.2199
      46.9314   0.2643    0.4445
      19.7761   0.737     0.394
       8.3635   0.2365    0.093
0 1 6 8.0 0.9189
      97.5662   0.00473  -0.017
      34.994   -0.0706   -0.0736
      15.0609  -0.3186    0.1458
       6.3274   0.2932    0.9938
       2.6735   0.9281    1.2549
       1.1047   0.2879    0.4207
0 1 3 4.0 1.0
       2.95668 -0.04577  -0.161747
       1.08723 -0.322189  1.89298
       0.611098 0.298642 -5.99368
0 1 1 0.0 1.0
       0.1486   1.0       1.0
0 3 6 10.0 1.0
     195.459    0.00478
      57.3182   0.0379
      20.7748   0.1536
       8.1369   0.3857
       2.9767   0.5762
       0.9404   0.34236
0 3 1 0.0 1.0
       0.5582   1.0


Title:    Germanium
Author:   M.D. Towler
When:     February 1998
Use:      H doped Ge
Comments: modification of above set - reoptimized in presence of H impurity.
Refs:     used in  "Muonium as a hydrogen analogue in silicon and
          germanium; quantum effects and hyperfine parameters", by 
          A.R. Porter, M.D. Towler and R.J. Needs, submitted to PRB (Feb 1999)

32 7
0 0 9 2.0 0.9352
 2233310.0        0.0000395
  313044.0        0.000348
   64056.8        0.00219
   15552.0        0.0114
    4344.31       0.0483
    1368.86       0.159
     484.106      0.3535
     187.139      0.4229
      74.8445     0.1494
0 1 7 8.0 0.9278
    5165.19      -0.000434   0.00103
    1175.7       -0.00789    0.00978
     351.419     -0.0664     0.0583
     121.338     -0.1465     0.2199
      46.9314     0.2643     0.4445
      19.7761     0.737      0.394
       8.3635     0.2365     0.093
0 1 6 8.0 0.9225
      97.5662     0.00473   -0.017
      34.994     -0.0706    -0.0736
      15.0609    -0.3186     0.1458
       6.3274     0.2932     0.9938
       2.6735     0.9281     1.2549
       1.1047     0.2879     0.4207
0 1 3 4.0 1.0
       2.2888334 -0.0517711 -0.0437
       0.6641617 -0.2554     0.7822300
       0.4925     0.3626    -2.9266
0 1 1 0.0 1.0
       0.1392     1.0        1.0
0 3 6 10.0 1.0
     193.88       0.0048
      56.984      0.0376
      20.6222     0.1572
       7.9827     0.3833
       3.0118     0.512
       1.082      0.3747
0 3 1 0.0 1.0
       0.3611     1.0