[Wien] What do the last two data of the first line of file case.rho mean?

Pan Zhijun kedypan at gmail.com
Sun Jan 15 17:52:26 CET 2006


Hi,all users of Wien2k,
     I do not know what the last two data of the first line of file
case.rhomean. Please explain it for
me.Any hint is appreciated.Thank you in advance.In addition to that
problem,I have two others to consult you.
    1)Why is the case.clmsum always changed into the case.clmval after the
calculating of x lapw5 in the file lapw5.def?
    2)What is the difference between the valence charge density and the
bonding-charge density? Please explain the two concepts of valence charge
density and bonding-charge density for me.Thank you very much.
    Best regards.

Yours sincerely,

Z.J.
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