[Pw_forum] Conversion of alat to bhor of CELL_PARAMETERS

Mohammed Ghadiyali m786g at live.co.uk
Sat Sep 3 09:58:38 CEST 2016


Dear All,

It would be very helpful if someone can inform me as how to convert or define a crystal structure in the combination of ibrav = 0 and CELL_PARAMETERS in bhor rather than the normally used combination of ibrav = 0 and CELL_PARAMETERS in alat.

As I what to use phononpy for the calculation of the phonon dispersion as it is observed it is simpler and less expensive (computational) to use.

Regards,
Ghadiyali Mohammed Kader 		 	   		  
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