Dear QE users, I want to calculate the phonon linewith and thermal conductivity of a large system using the d3q.x.
In the step of running ph.x, I added drho_star%open = .true. drho_star%ext = 'drho', drho_star%dir = ‘FILDRHO' However, the material system I calculated is quite complicated. To speedup the calculation, I run ph.x on GRID. In this case, how to run ph.x on GRID by including drho_star%open = .true. drho_star%ext = 'drho', drho_star%dir = ‘FILDRHO’ Then following this, I can continue to use d3q.x. Kind regards, Min Hong University of Queensland, Australia.
_______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
