[Wien] ELASTIC CONSTANTS OF CUBIC COMPOUND

Nazia Erum erum.n at hotmail.com
Sun Dec 20 06:01:58 CET 2015


Hello,
 Prof. Blaha and wien2k user,
 
I want to calculate cubic constants of a cubic perovskite compound with method developed by charpin. I put valid case.struct and case.inst file in the directory but when I want to init_elast through terminal it prompts that you don't have valid case.struc file. Then I past this init_elast in commandline of wien2k that says xnn invalid xnn error.while I am giving correct bond length factor which is 2.
            please guide me in this respect.
                                                                                         ph.d. student
              
 
 		 	   		  
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