[Pw_forum] epsilon.x

Dear all How can I find suitable value of intersmear and intrasmear in epsioln calculation via epsilon.x? Thanks in advance M. Pashangpour PhD of physics IAU,Tehran,Iran Sent from my iPhone ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/m

Re: [Pw_forum] LSDA calculation with Hybrid functional

Dear Dr. Lorenzo, sorry for the previous incomplete mail. I have done two LSDA calculation with total_magnetization and without it using pbe0. In case of GGA that total magnetization value remain fixed after scf minimization where as in pbe0 as I told you earlier it is not writing total magnetzati

Re: [Pw_forum] LSDA calculation with Hybrid functional

Dear Dr. Lorenzo, I have done two LSDA calculation with total_magnetization and without it using pbe0. In case of GGA On Tue, Nov 8, 2016 at 10:51 AM, Rita Maji wrote: > Dear Dr. Lorenzo, > I want to compare this results with already reported result using some > other package, so the convergence

[Pw_forum] problem for generating q-points using kpoint.x

Dear all users, Hello. I calculate for superconducting parameters using QE+EPW, My system is body-centered tetragonal structure(No. 139, ibrav=7). I have two question, but same problem. First, in ph.x process, the 4 q-points are shown for 2x2x2 q-mesh. For lambda.x calculation, when I got an we

Re: [Pw_forum] charge density

Dear Alexandra Davila I also publish a message about this subject a few days ago. I also think it something with the pseudopotential but I check it also for norm-conserving pseudopotential and I have the same problem. In your message you write: "From each file I obtain different values 6.79 and 7