EPW Forum

Hello dear administrators and users I'm working on superconductivity and the first input calculating the critical temperature is done, and as the tutorial we have two paths isotropic or anisotropic superconducting gaps, how can i know which one i will use ? there is any sign in the output ? or i mus...

Hi sir Hari
Thanks you for reply i just figure out that i forget generating k points of nscf from utility not xcrysden this is why i get this error.
Thanks a lot.

Best
Ilias

Hi dear administrators and experts hope you are doing well i have a problem in the calculations the process stopped suddenly without a crash file or error the scf and nscf are calculated well but in the beginning of the wannierization its stopped Spin CASE ( default = unpolarized ) Initializing Wann...

Hi sir Hari

well received thanks you so much


best

Hi dear administrators and users

I'm asking about the plot of the Fermi surface in the out files i get several files of Fermi surfaces starting from fs-1 cube to fs-24 cube what mean's the numbers of these files is the temperatures behind the critical temperature ???


best

the epw out ``:oss/ `.+s+. .+ys--yh+ `./ss+. -sh//yy+` +yy +yy -+h+-oyy -yh- .oyy/.-sh. .syo-.:sy- /yh `.-.` `yh+ -oyyyo. `/syys: oys `.` `/+ssys+-` `sh+ ` oys` .:osyo` -yh- ./syyooyo` .sys+/oyo--yh/ `yy+ .-:-. `-/+/:` -sh- /yh. oys ``..---hho---------` .---------..` `.-----.` -hd+---. `./osmNMMMMMM...

Hi Mr H.Lee here attached the nscf.out Program PWSCF v.6.4 starts on 15Feb2021 at 15:49:41 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); "P. Giannozzi et al., J. Phys.:C...

Dear administrators and users hope you are doing well i have a problem on the projections of B3S i have - atoms of bore and 2 atoms of sulfide in the unit cell i tried the automatic projection but i get a huge spread win.out WF centre and spread 1 ( 1.620799, 0.314707, -0.016172 ) 103.18888546 WF ce...

hi dear administrators and users
im working on thermal properties on an monolayer structure i reach stability using phonopy software, my question is can i use the data provided from phonopy to use EPW in order to investigate the electron phonon coupling

Best

Hello dear users and experts Hope you doing well I'm working on the electron-phonon coupling and i investigate the thermal properties related to this phenomena especially the volumetric electron phonon coupling factor G(Te) (W.m^-3.K^-1) and the thermal conductivity Ke all these quantities are relat...