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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- Wed Apr 09, 2014 10:07 pm
- Forum: Ground state
- Topic: parametre de maille
- Replies: 0
- Views: 1261