Dear Elio Are the q points generated by the ph.x and kpoints.x different even when you use the same grid index ? If so, kpoints.x cannot be used.
Best regards, Mitsuaki Kawamura From: users <[email protected]> On Behalf Of Elio Physics Sent: Tuesday, May 29, 2018 10:02 PM To: Quantum Espresso users Forum <[email protected]> Subject: Re: [QE-users] alpha^2F (w) and lambda (w) Dear Mitsuaki, Thanks for your reply. I just want to add more question regards the points produced by kpoints.x needed for the lambda.x execution. I have some q grids that have 7, 13 ,21 or even 43 points . How can I produce 7, 13, 21 and 43 points using kpoints.x ? Is it legitimate to say , in the case of 7, produce 9 points and take off two of them? Once again, thanks in advance. ________________________________________ From: users <mailto:[email protected]> on behalf of Mitsuaki Kawamura <mailto:[email protected]> Sent: Tuesday, May 29, 2018 12:19 AM To: 'Quantum Espresso users Forum' Subject: Re: [QE-users] alpha^2F (w) and lambda (w) Dear Elio Hello, 1- lambda(w) (The integration of alpha2F) is not computed in matdyn.x. Please integrate alpha2F(w) manually. 2- To plot it with gnuplot, you have to modify that file as each frequency has single line. For plotting it with gnuplot, you have to modify that file to write each frequency in a single line. That file format will be changed in the next release. Best regards, Mitsuaki Kawamura -- ------------------------------------------------------ Dr. Mitsuaki Kawamura Ozaki Laboratory The Institute for Solid State Physics, Kashiwa, Japan e-mail : mailto:[email protected] ------------------------------------------------------ From: users <mailto:[email protected]> On Behalf Of Elio Physics Sent: Monday, May 28, 2018 9:19 AM To: Quantum Espresso users Forum <mailto:[email protected]> Subject: [QE-users] alpha^2F (w) and lambda (w) Dear all, I am trying to plot The Eliashberg function and the electron phonon parameter in terms of the frequencies. I know that matdyn.x produces these two files and that alpha^2F data is found in a2FDos.X files . 1- Where can I find the lambda (w) information? 2- How can I plot these graphs? The file is not suitable to be plot in gnuplot. Any help would be appreciated. Thanks Elio IFRO Brazil _______________________________________________ users mailing list mailto:[email protected] https://lists.quantum-espresso.org/mailman/listinfo/users https://lists.quantum-espresso.org/mailman/listinfo/users lists.quantum-espresso.org Your email address: Your name (optional): You may enter a privacy password below. This provides only mild security, but should prevent others from messing with your subscription. _______________________________________________ users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
