[Pw_forum] a not reasonable initial path for NEB calculation

[lfhuang]

Dear P. Giannozzi and P. Ghosh: 
    I have solve my problem. I find that the coodinates of H adatom in the first_image and last_image should be
 type in the same line sequence No., or the interpolated initial path will be greatly distorted. 

Thank you again for your kind hearts!

Yours Sincerely

L.F.Huang
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L.F.Huang(黄良锋) lfhuang at theory.issp.ac.cn
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Add: Research Laboratory for Computational Materials Sciences,
Instutue of Solid State Physics,the Chinese Academy of Sciences,
P.O.Box 1129, Hefei 230031, P.R.China
Tel: 86-551-5591464-328(office)
Fax: 86-551-5591434
Web: http://theory.issp.ac.cn (website of our theory group)
http://www.issp.ac.cn    (website of our institute)
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