cRPA dielectric matrix error

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cRPA dielectric matrix error

Postby mvanzini » Wed Apr 03, 2019 4:59 pm

Hello everyone,
I am using abinit for evaluating the cRPA loss function, EELS file. However, I get the following error:
--- !ERROR
src_file: m_matrix.F90
src_line: 134
mpi_rank: 0
message: |
- Eigenvalues from zheev are negative or zero ! -
which I think is related to the input variables nbandkss and kssform: suppressing these, the error disappers, but no SCR file nor EELF is created, which are what I need.
Can anyone help me?
Posts: 1
Joined: Wed Apr 03, 2019 4:54 pm

Re: cRPA dielectric matrix error

Postby amadon » Tue Apr 09, 2019 4:15 pm

Dear Marco,

I do not understand precisely your goal. You want to compute the RPA loss function, or you want to do a cRPA (constrained RPA) calculation ?
Could you post your input file ?
if you have used the keyword ucrpa, ABINIT will compute effective interactions, and in this case, the error
might come from the definition of Wannier functions.

Best regards
Bernard Amadon
Posts: 40
Joined: Mon Aug 24, 2009 10:58 am

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