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Mode: create

Syntax

pikashu -create <a0> <structure> <spieces> <outputfile> [<formats>]

or

pikashu [<formats>] <outputfile> -create <a0> <structure> <spieces>

Description

This mode allows to create a structure from scratch. For now, only a small number of very basic cubic structures can be created (see table below). Also, the base vectors of the created system are X=[100], Y=[010] and Z=[001]; other orientations are not implemented yet.

The parameters associated with the create mode are:

The table below shows the acceptable entries for structure, and the corresponding number of spieces that must be specified:

structure Number of spieces
Simple cubic sc 1
Body-centered cubic bcc 1
Face-centered cubic fcc 1
Diamond diamond, dia 1
Zincblende zincblende, zc 2
Perovskite perovskite, per 3

The name of the <outputfile> can be specified either before or after the mode.

Examples

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