[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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