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Next: Super-cell generation Up: PHON (Version 1.30) A Previous: Calculation of the force

Description of the program and input/output files

The program reads the following files:

In this example the super-cell is a primitive cell (to economise on space), in general you need to construct a super-cell, displace the atoms in the primitive cell appropriately and calculate the induced forces. The procedure is explained below.



Subsections
next up previous
Next: Super-cell generation Up: PHON (Version 1.30) A Previous: Calculation of the force
Dario Alfe` 2012-02-20