[Wannier] Matrix Decomposition Failure

[Lauren Walters]

Hello all,

I am having trouble performing a Wannier90 calculation on a molybdenum
nitride. My calculation fails with the following error after the first
wannierization:

 Cycle:      1

 wann_main: ZHEEV in internal_new_u_and_m failed, info=           78

            trying Schur decomposition instead

 wann_main: SCHUR failed, info=           79

 Exiting.......

 wann_main: problem computing schur form 1

The wannier90 build works for others in my group, as well as silicon for
myself. After looking at previous qe-wannier postings, I have tried
reducing the density of my k-mesh, changing tolerances, using different
smearings such as Guassian, and using different BLAS and LAPACK libraries
to no avail. For reference, I am using wannier90-1.2 primarily, but have
also tried using wannier90-2.1.

Any help would be appreciated!
Lauren
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/wannier/attachments/20181211/3a16db68/attachment.html>