[Pw_forum] nuclear charge change

Amin Babazadeh babazade at gmail.com
Thu Jan 25 06:15:36 CET 2007


Dear users
Would you please tell me that how i can change nuclear charge in quantum
espresso code.We know that the nuclear charge in H(hydrogen) is 1 (Z=1) but
in my calculation it should be .5 (Z=.5) or 1.5 (Z=1.5) but i don't how
to do it in espresso.
I will appreciate if helps me
sincerely yours

-- 
AMIN
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