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4.5 [ C e l l ] section
85
4.5.5 Repeated structures
You can use some simple procedures in PH I TS to make repeated structures, where the same or similar units are
put repeatedly. Using a lattice parameter explained in Sec. 4.5.4 is one of them, and another is the LIKE n BUT
cell parameter format.
LIKE n BUT cell parameter
Using this format, you can make a little different cell from original one. Only elements corresponding to cell
parameters written after BUT are different from the n cell. Cell parameters that can be used in this format are shown
in Table 4.50. In the following example, two cell parameters TRCL and MAT are used.
List 4.15
1:
2:
3:
4:
5:
6:
7:
8:
9:
10:
11:
12:
13:
14:
15:
16:
17:
18:
19:
20:
• [cell] section example (8)
[ M a t e r i a l ]
mat[1] 1H 2 16O 1
mat[2] Fe 1
[ C e l l ]
1
0
-10 13 -14 #2 #3 #4
2
1 1.0
11 -12 13 -14 15 -16
3
LIKE 2 BUT TRCL=1
4
LIKE 2 BUT TRCL=2 MAT=2
5 -1
#(-10 13 -14)
[ S u r f a c e ]
10 CY
10
11 PX -2
12 PX
2
13 PY -2
14 PY
2
15 PZ -2
16 PZ
2
[T r a n s f o r m ]
*tr1
3 0 -5
*tr2
0 0 6 30 90 120 90 0 90 60 90 30
1
A 4 cm cube filled with water is defined in the 6th line, and is put at the origin of the coordinate system. Inside
of this cube is the 2nd cell regarded as the original cell in this example. In the 7th and 8th lines, respectively,
the 3rd and 4th cells are defined with the LIKE n BUT format, where n = 2. Figure 4.20 shows the result of
the example. The coordinate system of the 3rd cell is transformed using the cell parameter TRCL=1, where the
coordinate transform number 1 is defined in the 19th line in the [transform] section. That of the 4th cell is also
transformed with TRCL=2. Moreover, the material inside of the cell is replaced with iron defined as the material
number 2 in the 3rd line.
10
5
x [cm]
3
void
0
−5
−10
−10
4
2
iron
water
1
−5
0
z [cm]
5
10
Figure 4.20: Result of the [cell] section example (8).