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(???) 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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