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wyez

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The above paper has now been assessed by our referees. The referee has raised important points which require clarification before we can proceed, and major amendments are required. I am enclosing these comments below for your attention.

If you feel that you can overcome or refute the criticism, you may resubmit to Computational Materials Science. In such a case, I would like to stress that each of the referees' comments should be considered and it would be very useful if you could also detail in a covering letter how you have answered each point.

When submitting your revised manuscript, please ensure that you upload the source files (e.g. Word). Uploading a PDF file at this stage will create delays should your manuscript be finally accepted for publication. If your revised submission does not include the source files, we will contact you to request them.



To submit a revision, please go to http://ees.elsevier.com/commat/.
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Click on "Submissions Needing Revision" to find your submission.

Yours sincerely,

Hugues Dreysse
Editor in Chief
Computational Materials Science

Editor's/Reviewers' comments:



Report:
This paper tries to perform ab initio pseudopotential method as incorporated in castep code by using the GGA approximation to investigate the structural, electronic and thermodynamic properties ofxx.

1-The structural and elastic properties are compared very well to the available theoretical and experimental data. The thermo dynamical properties seam to a new results. The paper deserve to be published. But I have not and never satisfied by the English language of the paper. Grammar and sentence construction (e.g. singular and plural nouns and verbs, truncated sentences, sentences missing main verbs and/or subjects, etc), badly worded/ constructed sentences, too often present mistakes. Also the choice of words is sometimes misleading along the manuscript. ((I cite below only some ones as an example)).   I suggest the authors to ask a mother tongue to read carefully this manuscript and improved it since in its present form cannot be accepted for publication.


*) The title must be changed to: The structural, elastic and thermodynamic properties of. . "" remove properties for elastic".
*) Page 1 line 2 from the top in the introduction part:  Semiconductor  "s" is not in a capital form; line 12 from the top:  at ambient conditions instead "in ambient conditions"; just two lines again: FP-LMTO  instead "FP-LM-To"; at the same line : "Khenata et al [7]." Instead "Khenata [7] et al"
Page 2 line 4 from the top: correct : "compound "instead " compounds"
There are a lot of mistakes along the manuscript which I  cannot cite them in this reports

The manuscript should be checked thoroughly by the Authors to remove other mistakes that were not mentioned by me.

In conclusion: English level needs a significant improvement, and a more and more careful proof reading by the author is necessary.
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xianke5199

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sorceress

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wyez(½ð±Ò+3): 2010-10-15 09:20:31
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