[QE-users] Difference in phonon frequencies produced by matdyn.x

/* -- Jie Peng PhD student 2134 Glenn Martin Hall, Mechanical Engineering, University of Maryland College Park, Maryland, USA Phone:(+1) 240-495-9445 Email: jiep...@umd.edu

[QE-users] Cell temperature in NPT simulations using cp.x

Thank you very much in advance. Best -- -------- Jie Peng PhD student 2134 Glenn Martin Hall, Mechanical Engineering, University of Maryland College Park, Maryland, USA Phone:(+1) 240-

Re: [QE-users] NVE simulation in cp.x - large fluctuation in temperature

> Greetings from Sunny Zurich, > >apsi > > -=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*= > -=*=-=*=-=*=-=*=- > Ari Paavo Seitsonen / ari.p.seitso...@iki.fi / http://www.iki.fi/~apsi/ > Ecole Normale Supérieure (ENS), Département de Chimie, Paris > Mobile (F) : +33 789 37 24 25(CH) :

[QE-users] NVE simulation in cp.x - large fluctuation in temperature

elp me on it? Thank you very much. Best Jie -- -------- Jie Peng PhD student 2134 Glenn Martin Hall, Mechanical Engineering, University of Maryland College Park, Maryland, USA Phone:(+1) 240-49

[QE-users] Large difference between lattice structure simulated by pwscf code and cp.x code

st Jie -- -------- Jie Peng PhD student 2134 Glenn Martin Hall, Mechanical Engineering, University of Maryland College Park, Maryland, USA Phone:(+1) 240-495-9445 Email: jiep...@u

Re: [Pw_forum] Phonon of single layer MoS2

and situation. Again, I am terribly sorry for my actions. Best wishes to you. Sincerely, Jie Peng PhD student, Mechanical Engineering Department, University of Maryland > On Jul 14, 2015, at 07:00, Suza W <suza@gmail.com> wrote: > > Dear All, > > Re