[Pw_forum] about the logical parameter "use_masses" in IONS card

lfhuang lfhuang at theory.issp.ac.cn
Mon Mar 30 15:51:09 CEST 2009

Hello pwscf developers:
    What does the definition of "use_masses" in IONS card (mass-weighted) mean? 
Whose masses are weighted? Is it the weight between the first_image and the last_image,
or just the weight in one configuration according to the masses of all the atoms? When should
we turn on "use_masses" to be .true.?  
    I can't find the answers for these questions in "INPUT_PW" and this forum. Could any kind
one teach me for these? I'd like to appreciate any help very much!
Best Wishes!
Yours Sincerely
L. F. Huang
L.F.Huang(黄良锋) lfhuang at theory.issp.ac.cn
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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