[Wien] Regarding electron numbers
mandeep hooda
mandeep103 at gmail.com
Wed Aug 23 09:11:00 CEST 2017
Dear Wien2k users,
The total number of electrons are usually
given in scf file. Is there any file containing number of core electrons
or valence electrons ?. If not, can we calculate the number of core
electrons from the total number by any formula or other means ?. Your
comments will be appreciable. Thanking you in advance
Mandeep Kumar Hooda
Physics Scholar
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