[Pw_forum] ph.x run on GRID including drho_star for d3q.x calculation

[Min Hong]

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.
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