Respected Prof. and QE users, >so, i guess, Na(H) should have diagonal Z*
Yes. >while F could have off >diagonal one and could be non-symmetric ... No, it also has only diagonal elements, which are* (along with H and Na) (prb 73, 155114, ?2006, section VII, part-C*) direction H F Na* xx/yy* ~0.34 ~ -.7 ~1.06 zz ~2 ~ -1.5 ~ 1 Thank you. with regards, Sonu IITD -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110408/1d8e310d/attachment.htm
