[Wien] what is the meaning of SRF for efg components?

[Saeid Jalali]

TOT/SRF in "V20  TOT/SRF=   -14.00560    -0.02310" for :EFG001 means the calculated contributions to V20 are -14.00560 and -0.02310 over the sphere number 1 and over its surface (SRF) taking boundary of the sphere into account. Please notice that TOT>>SRF.

Your,

Saeid.

Alessandro Mirone <mirone at esrf.fr> wrote:  Dear All,

what is the correct interpretation for the SRF component ( given in 
10**21 V /m**2 ) that one gets from lapw0?

Is it exact to say that it is the contribution from charges external, for
a given atom, to its own mt sphere? ( interstitial + other atoms spheres? 
+ other ions )
Regards
Alessandro Mirone


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Sincerely yours,
S. Jalali.
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Saeid Jalali Asadabadi,
Department of Physics, Faculty of Science,
University of Isfahan (UI), Hezar Gerib Avenue,
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