Dear: below is the sentence got from the article of Prof. Mads Brandbyge
'The range of interaction between orbitals is limited by the radii of the atomic orbitals to 5.8°A, corresponding to the 4th nearest neighbor in the bulk gold crystal or a range of three consecutive layers in the [111] direction.' I know this correspond to the PAO.energyshift set in fdf file. but how to transform the sentence to PAO.energyshift? Thank you -- Best Regards 邱芳瑜 Chiu Fang Yu 國立成功大學 材料科學與工程學系碩二 MOBILE：0930287221(中華) GMAIL：[email protected] <[email protected]>
