[Pw_forum] Wannier function

2017-09-20 Thread mansourehp
Dear all I would like find s, px, py and pz contribution in I-V curve for a system, separately. How can I set wannier function in WanT code? Regards Mansoureh Pashangpour IIAU Tehran,Iran Sent from my iPhone ___ Pw_forum mailing list Pw_forum@pwscf.org

Re: [Pw_forum] epsilon.x

2016-11-23 Thread mansourehp
Dear Ferretti I mean inter and intera smearings in inputpp of epsilon calculation not in inputscf. Do you mean I can set them similar kpt, Ecuts and smearing in scf input? Thanks M Pashangpour IIAU,Tehran,Iran Sent from my iPhone > On 23 Nov 2016, at 19:56, Andrea Ferretti

[Pw_forum] epsilon.x

2016-11-20 Thread mansourehp
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

Re: [Pw_forum] Rep: WanT installation

2016-10-14 Thread mansourehp
Dear Suresh, It was installed. Thanks alot M. Pashangpour, IAU,Tehran,Iran Sent from my iPhone > On 13 Oct 2016, at 14:04, Suresh A wrote: > > Suresh ___ Pw_forum mailing list Pw_forum@pwscf.org

Re: [Pw_forum] WanT installation

2016-10-14 Thread mansourehp
Dear Ferretti, I could install WanT with your help. it seems work well. Best regards, Mansoureh Pashangpour, PhD of physics, IAU, Tehran, Iran Sent from my iPhone > On 13 Oct 2016, at 16:18, Andrea Ferretti wrote: > > > > Dear Mansoureh, > > besides the