Questions tagged [d-band]
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What is the meaning of this co-efficient in the formula for the width of the d-band center?
In this article where they have introduced a new activity descriptor width of d-band the formula for width has a coefficient 4 $(W_d = 4\sqrt{m^c_2})$. While the same formula used in other works does ...
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d-band center calculation from GPAW code
How may I calculate the d-band center of metals using GPAW? In other words, how may I get the ASCII data from a gpw file?
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