Hi, Dr Sanjeev Because the title of the first email had not been filled in, i had to send the email with same content again to attract more concern. Forgive me! Aha~ As for the question, thank you for your perfect reply. In fact, i have compiled QHA package before, but did't confirm debye.x is the tool to compute debye temperature, i thought lambda.x also could do this job! However, from your reply, i suppose the right way is to use debye.x not lambada.x. Right?
Best! Yue-Wen FANG 2012/12/7 Sanjeev Gupta <physics.skgupta at gmail.com> > Please do not mail again -again. > 1. with PWSCF package, find utility QHA, read and install. > see this post: > http://www.democritos.it/pipermail/pw_forum/2011-October/022205.html. > I also suggest, please read this good article also, > http://arxiv.org/abs/1112.4977v1 > > Further, read solid state Physics, like : "Solid State Physics: Neil W. > Ashcroft, N. David > *Mermin*<http://www.google.com/url?url=http://www.amazon.com/Solid-State-Physics-Neil-Ashcroft/dp/0030839939&rct=j&sa=U&ei=UAHCUOSNN4fQygGplYDgCQ&ved=0CBQQFjAA&q=Ashroff+and+Mermin%22+&usg=AFQjCNEz27QoQu--Ekg2u8b7kxedW3_FuQ> > " > > bests > > sanjeev > > > > On Fri, Dec 7, 2012 at 3:00 AM, Yue-Wen Fang <yuewen.fang at gmail.com>wrote: > >> Dear all, >> >> when computing *superconductivity*, I am puzzled by following questions: >> *1. *How to compute the *Debye temperature* in PWSCF? >> *2. *Can *lambda.x* or (and) *debye.x* calculate the Debye >> temperature? >> *3. *What are the *differences between lambda.x and debye.x*? What* theory >> (or formula) *are they depend on? >> Any comments and suggestions are welcome? >> Thank you! >> >> >> >> -- >> >> ------------------------------------------------------------------------------------------------------------ >> Yue-Wen FANG, PhD candidate >> Key Laboratory of Polar Materials and Devices, Ministry of >> Education<http://clpm.ecnu.edu.cn/> >> East China Normal University <http://www.ecnu.edu.cn/english/> >> Phone: +86-18321726131 >> I will persist until I succeed! >> >> >> >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum at pwscf.org >> http://pwscf.org/mailman/listinfo/pw_forum >> > > > > -- > Dept. of Physics > Michigan Technological University > 1400 Townsend Drive > Houghton > MI 49931, USA > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- ------------------------------------------------------------------------------------------------------------ Yue-Wen FANG, PhD candidate Key Laboratory of Polar Materials and Devices, Ministry of Education<http://clpm.ecnu.edu.cn/> East China Normal University <http://www.ecnu.edu.cn/english/> Phone: +86-18321726131 I will persist until I succeed! -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20121208/705aed4e/attachment.html
