Bravais Lattices Creator manual

Rules to use the library:

The BLC library is a folder path on the user’s PC
The path may be change on the add-on panel in the Blender User Preferences (Library path)
The folder should include txt files
Names of the txt files will show in lattice select field on the BLC panel

BLC addon preferences (the library path) in the Blender User Preferences:

path

table bp

All coordinates and positions should be three-dimensional:

gFvxY

Every line of the txt file equal one parameter of the Bravais lattice:

1) the first line is name of the lattice
2) the second line will be skipped (every second line is reserved for comment and will be skipped)
3) the third line is the length of the cell edges in nm
4) skipped for comment
5) the fifth line is the angles between the cell edges in degree
6) skipped for comment
7) the count of molecule’s element/s
8) skipped for comment
9) atom’s name/s (all names of the molecule through a space)
10) skipped for comment
11) atom’s radius/es in nm (all radiuses of the each element of the molecule through a space)
12) skipped for comment
13) the count of atoms (for each element of molecule through a space)
14) skipped for comment
15) atom’s position (of first atom of the first element of the molecule)
16) skipped for comment
17) atom’s position (next atom’s position of the first element or first atom’s position of the next element of the molecule)
18) skipped for comment
19) next atom’s position (if there is)
20) etc.

Example scheme of Bravais lattice parameters:

block

table

If the lattice includes several chemical elements, then the value of seventh line have to equal the count of chemical elements
So, the count of values of ninth line have to equal the value of seventh line, and the values have to entered through a space, like a “C” for a diamond, or “Fe Cr” for a ferrochrome
Next, the count of values of eleventh line have to equal the value of seventh line too (in degree for each element), and the values have to entered through a space
The count of values of thirteenth line have to equal the value of seventh line, the thirteenth line is the count of atoms for each element, for example: if a ferrochrome include eight atoms of iron and one atom of chrome then the line will looks like “8 1”
The value of atom position enter in apart lines, start from fifteenth line, at first entered atom’s position of first element of molecule (first element of the ninth line)
Every atom’s position line have to include atom position relative one discrete translation of Bravais lattice, where the length of the edge of the one translation will interpret 1, and the center of the one translation will interpret 0.5

Example scheme of atoms positions:

bp1

Library optimization:

The BLC builds lattices, shifting it, so, the atoms on the edge of one discrete translation will be intersectioned
The BLC doesn’t create intersectioned atoms automatically, so, the user may not enter the positions of atoms on the edge of one discrete translation
Intersectioned atoms will have one in the coordinates, like “0 0 1” or “1 0 1” etc.
Example:
“1 1 0” – intersectioned (no needed), “1 0.5 0” – intersectioned (no needed), “0.25 0.3 1” – intersectioned (no needed)
“0 0 0” – disjoint (required), “0 0.5 0” – disjoint (required), “0.41 0.8 0” – disjoint (required)

Example of optimized Ferrum atom parameters:

bp3