Dear all, I am facing a problem with the widely discussed error "problems computing cholesky". I searched in the mailing list archive, but I couldn't find a solution to my problem. After successfully running an "scf" calculation, I run a "bands" calculation which gives this error while computing the kpoints:
Computing kpt #: 1
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Error in routine cdiaghg (245):
problems computing cholesky
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This problem arises with both 5.0 and 5.1 versions. Doing some tests, I found
that if I decrease ecut and kpoints to ridiculously small values, the error
doesn't show up.
Any advice is welcome!
Kind regards,
--
Carlo Motta
PostDoc Researcher
School of Physics and CRANN, IE Mob.: +353 (0) 83440 8930
Trinity College Dublin, IT Mob: +39 3286845055
Dublin 2, IRELAND
scf.in
Description: scf.in
pw-band.in
Description: pw-band.in
out.pw-band
Description: out.pw-band
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