Feff84 Cu feff.inp

From FEFF

This is an example input file for Cu for FEFF84.

TITLE  copper
HOLE    1 1.0
CONTROL 1 1 1 1 1 1
PRINT   0 0 0 0 0 0
RPATH   5.5
LDOS   -30  20  0.1

POTENTIALS
      0   29   Cu
      1   29   Cu

ATOMS
  0.00000     0.00000     0.00000    0   Cu0        0.00000
  0.00000     1.80500    -1.80500    1   Cu1        2.55266
 -1.80500    -1.80500     0.00000    1   Cu1        2.55266
  1.80500     0.00000    -1.80500    1   Cu1        2.55266
  0.00000    -1.80500     1.80500    1   Cu1        2.55266
  1.80500     1.80500     0.00000    1   Cu1        2.55266
  0.00000    -1.80500    -1.80500    1   Cu1        2.55266
 -1.80500     1.80500     0.00000    1   Cu1        2.55266
  0.00000     1.80500     1.80500    1   Cu1        2.55266
 -1.80500     0.00000    -1.80500    1   Cu1        2.55266
 -1.80500     0.00000     1.80500    1   Cu1        2.55266
  1.80500     0.00000     1.80500    1   Cu1        2.55266
  1.80500    -1.80500     0.00000    1   Cu1        2.55266
  0.00000    -3.61000     0.00000    1   Cu1        3.61000
  0.00000     0.00000    -3.61000    1   Cu1        3.61000
  0.00000     0.00000     3.61000    1   Cu1        3.61000
 -3.61000     0.00000     0.00000    1   Cu1        3.61000
  3.61000     0.00000     0.00000    1   Cu1        3.61000
  0.00000     3.61000     0.00000    1   Cu1        3.61000
 -1.80500     3.61000     1.80500    1   Cu1        4.42133
  1.80500     3.61000     1.80500    1   Cu1        4.42133
 -1.80500    -3.61000    -1.80500    1   Cu1        4.42133
 -1.80500     3.61000    -1.80500    1   Cu1        4.42133
  1.80500     3.61000    -1.80500    1   Cu1        4.42133
 -1.80500    -3.61000     1.80500    1   Cu1        4.42133
 -3.61000     1.80500    -1.80500    1   Cu1        4.42133
  1.80500    -3.61000     1.80500    1   Cu1        4.42133
  3.61000     1.80500    -1.80500    1   Cu1        4.42133
 -3.61000     1.80500     1.80500    1   Cu1        4.42133
 -3.61000    -1.80500    -1.80500    1   Cu1        4.42133
  3.61000    -1.80500     1.80500    1   Cu1        4.42133
  1.80500    -3.61000    -1.80500    1   Cu1        4.42133
 -3.61000    -1.80500     1.80500    1   Cu1        4.42133
  3.61000     1.80500     1.80500    1   Cu1        4.42133
 -1.80500    -1.80500     3.61000    1   Cu1        4.42133
 -1.80500    -1.80500    -3.61000    1   Cu1        4.42133
  1.80500     1.80500    -3.61000    1   Cu1        4.42133
  1.80500    -1.80500    -3.61000    1   Cu1        4.42133
  1.80500    -1.80500     3.61000    1   Cu1        4.42133
 -1.80500     1.80500    -3.61000    1   Cu1        4.42133
 -1.80500     1.80500     3.61000    1   Cu1        4.42133
  1.80500     1.80500     3.61000    1   Cu1        4.42133
  3.61000    -1.80500    -1.80500    1   Cu1        4.42133
  3.61000    -3.61000     0.00000    1   Cu1        5.10531
  3.61000     0.00000    -3.61000    1   Cu1        5.10531
  3.61000     0.00000     3.61000    1   Cu1        5.10531
 -3.61000     3.61000     0.00000    1   Cu1        5.10531
  0.00000     3.61000     3.61000    1   Cu1        5.10531
 -3.61000     0.00000     3.61000    1   Cu1        5.10531
 -3.61000    -3.61000     0.00000    1   Cu1        5.10531
  0.00000    -3.61000     3.61000    1   Cu1        5.10531
 -3.61000     0.00000    -3.61000    1   Cu1        5.10531
  3.61000     3.61000     0.00000    1   Cu1        5.10531
  0.00000    -3.61000    -3.61000    1   Cu1        5.10531
  0.00000     3.61000    -3.61000    1   Cu1        5.10531
  0.00000    -5.41500     1.80500    1   Cu1        5.70791
  1.80500    -5.41500     0.00000    1   Cu1        5.70791
  0.00000    -5.41500    -1.80500    1   Cu1        5.70791
 -1.80500     0.00000     5.41500    1   Cu1        5.70791
 -5.41500     0.00000    -1.80500    1   Cu1        5.70791
  5.41500    -1.80500     0.00000    1   Cu1        5.70791
 -1.80500     5.41500     0.00000    1   Cu1        5.70791
  5.41500     0.00000    -1.80500    1   Cu1        5.70791
 -5.41500    -1.80500     0.00000    1   Cu1        5.70791
  1.80500     5.41500     0.00000    1   Cu1        5.70791
  5.41500     1.80500     0.00000    1   Cu1        5.70791
  0.00000     5.41500    -1.80500    1   Cu1        5.70791
  0.00000    -1.80500    -5.41500    1   Cu1        5.70791
  0.00000     5.41500     1.80500    1   Cu1        5.70791
  1.80500     0.00000     5.41500    1   Cu1        5.70791
  0.00000     1.80500     5.41500    1   Cu1        5.70791
  5.41500     0.00000     1.80500    1   Cu1        5.70791
  1.80500     0.00000    -5.41500    1   Cu1        5.70791
  0.00000     1.80500    -5.41500    1   Cu1        5.70791
  0.00000    -1.80500     5.41500    1   Cu1        5.70791
 -5.41500     0.00000     1.80500    1   Cu1        5.70791
 -5.41500     1.80500     0.00000    1   Cu1        5.70791
 -1.80500     0.00000    -5.41500    1   Cu1        5.70791
 -1.80500    -5.41500     0.00000    1   Cu1        5.70791
END
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