[Pw_forum] Errors in last step of GW calculations with GWL

Cristian Degli Esposti Boschi degliesposti at bo.imm.cnr.it
Thu Jun 15 16:05:52 CEST 2017


Dear all,

I am writing you because (together with a colleague of mine Andrea 
Pedrielli) we are experiencing errors in the last step (gww.x) of a GW 
calculation on graphene with the code GWL. QE version is 6.1

In particular, with different choices of parameters for the polarization 
basis and frequency grids, we get either

FCN: MAXN TOO SMALL

or

Routine fit_multipole: chi1 > chi0

but we haven't found clues in the documentation to get rid of these 
errors. Any help?

Thanks for your time
-- 
Cristian Degli Esposti Boschi
CNR-IMM, Sezione di Bologna,
via Gobetti, 101, 40129, Bologna, Italia
tel. ++39 051 6399152, fax ++39 051 6399216
email: degliesposti -AT- bo.imm.cnr.it
web:   www.bo.imm.cnr.it/site/staff/personal_pages/degliesposti/



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