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========= CHOOSE AN OPTION: 1. Number of species: <===== undefined 3. Basic translations of the PRIMITIVE CELL <===== undefined -------------- Extention matrix {cell -> supercell} ----------- 5. Specify directly | 1 0 0 | IJ(i,j)= | 0 1 0 |, ext= 1 | 0 0 1 | -------------- g e n e r a l s e t t i n g s ---------------- Or. Move atoms closer to origin: NO XY. Produce <geom.xyz> file after every change for Xmol Hs. H atoms to be added to <geom.xyz> file: NO An. [For input] Coordinates are specified in: <Angstroms> Bb. Set the size of the breeding box for visualisation >>>>> Current setting for the breeding box: <<<<< [ 0... 0] x [ 0... 0] x [ 0... 0] >>>>> extension = 1, # of atoms= 0 Q. Quit: return to the previous setting (if exists) ----------> Choose an appropriate option:
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