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A short description on the calculations of the optical absorption should be included in the Section 2. For instance, the number of vacancy orbitals is very important for the results of the optical absorption edge, how many vacancy orbitals have been chosen in the calculations of optical absorption? Please provide the full parameters set or mention if using the default.
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2Â¥: Originally posted by Upp_peter at 2013-10-14 20:17:24
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ÎÒÊÇÕâÑù»Ø¸´µÄ£¬Äã¿´ÐÐÂð£ºBased on the obtained electronic structure, optical properties of the rutile TiO2(011)-2¡Á1 surface can be calculated with default parameters.
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quietdistant: ½ð±Ò+5, ¡ïÓаïÖú 2013-10-15 08:29:45
franch: ½ð±Ò+2, лл»ØÌû½»Á÷ 2013-10-15 09:47:32
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3Â¥: Originally posted by quietdistant at 2013-10-14 23:19:43
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ÎÒÊÇÕâÑù»Ø¸´µÄ£¬Äã¿´ÐÐÂð£ºBased on the obtained electronic structure, optical properties of the ruti ...

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