FORCE_CONSTANTS

This file shows calculated force constants. This file works both input and output. Heaviest calculation is to determine the force constants. Therefore it is clever to reuse this file if your calculation is heavy. The first line shows the number of atoms in unit cell and supercell, respectively. The second line shows the atom numbers of unit cell and supercell. The successive values are force constants.
example
	   4  24
	   1   1
	  10.226253490334070   0.000000000000000   0.000000000000000
	  -0.000000000000001   9.049588793303755   0.000000000000000
	  -0.000000000000001   0.000000000000000  13.114700891153916
	...


togo 2009-02-12
Get fropho at SourceForge.net. Fast, secure and Free Open Source software downloads