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Specification of Potentials
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xTB
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Z1, Z2
These are the two forms of the Zetterling potential:[
74
]
V
(
r
) =
a
cos(2
k
F
r
) +
b
+
V
0
.
(12)
Subroutines used:
Z1
and
Z2
etc. If three parameters are specified by the
PARAMS
keyword they are interpreted as box lengths for a periodic system.