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Éó¸åÒâ¼û£ºCOMMENTS TO THE AUTHOR:

Reviewer #1:

Using First-principles calculations, the present work studied the *** of ****. Based the calculated ****, a number of *** are predicted. The content is within the scope of the journal. And the result is  consistent with the literature and helpful for ***. However, in predicting the ***, the theoretical models naturally ignore the ****, e.g., ****. Thus it is important to compare with experiments to justify the theoretical results and avoid potential misunderstanding of the readers.
Also, the language should be polished.
I therefore suggest a major revision of the manuscript.


Reviewer #2: In this paper, *****£¨ÕªÒªÀïµÄ´óÖÂÄÚÈÝ£©. The author's results of calculation can verify some experimntal resuits of *** and guide ****. Here the reviewer has some questions and advices:
1. According some other reports (such as "****" , ***£¬which is opposite to the results of this paper. Is the result of *** reliable? £¨ÕâÀïÐèҪ˵Ã÷µÄÊÇÎÒÂÛÎÄÀï½áÂÛ¹ØÓÚÕâ·½ÃæµÄ½âÊÍÓëËûÌṩÕâ¸öÂÛÎĵÄÐÅÏ¢ÊÇÒ»Öµģ¬µ«ÊÇËûÕâô˵²»Ò»Ö£¬ÎÒ»¹ÌØÒâ¶ÔÕÕÁËһϣ¬µ±È»Éó¸åÈË¿ÉÄܾÍÊÇËûÌṩÕâÆªÎÄÕµÄ×÷ÕßÖ®Ò»£©
2. In the ****. So does the calculation and prediction of *** in this paper have practical significance?
3. There are also some errors in English grammar, tense inconsistency and ununity in single and plural. For example, there are grammatical errors in"it is obviously can be seen" and "with *** has the minimum".Please check the paper again carefully.

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