Yambo Community Forum

Dear Yambo users,

I use Yambo-4.5.1 to run a GW calculation. My project system is really large so that the calculation stops at the process of Dynamic Dielectric Matrix after running 48 hours. Is there any way to restart the calculation from where it stops? Thanks.

Best,
Yang

Dear Yang,
the calculation of the dielectric matrix is automatically restarted, i.e. the databases of the dielectric matrix are stored for each q point, when restarting they are read and the calculations continue for the remaining q points.

If the code stops during the GW convolution instead, it is not possible to restart and the solution is to run different calculations with few quasiparticle corrections (being careful of renaming them or redirecting in different directories). In the end it is possible to merge all the databases in a single one by using the ypp utility.

Best,
Daniele