parametre de maille

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SABRINA2014
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Joined: Mon Apr 07, 2014 9:26 pm

parametre de maille

Post by SABRINA2014 » Wed Apr 09, 2014 10:07 pm

hello
i calculate the maille parameter de CdS i have 10,15 bohr but the thericaly value 10,96 bohr
i use LDA approximation with HGH pseudopotential
where is the solution
thank you
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