[Pw_forum] Question about Cell Parameter

[Leong Jun Xing]

Dear all

I am currently dealing with molecule in relax calculations. I choose ibrav = 0 and define the cell parameters by myself. Is that impossible to define the cell parameter in angstrom? I try to define my cell parameter as below:
CELL_PARAMETERS angstrom
  15.000   0.000   0.000
   0.000  20.000   0.000 
   0.000   0.000  25.000
However, all the value that I defined is shown in bohr in xcrysden. Wish to receive your reply soon.


Thank you


Regards
Leong
 		 	   		  
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