[Wannier] dis_project ZGESVD error

[Brad Malone]

Hi, I am using wannier in library mode for calculations on a system as a
function of pressure. I am able to successfully wannierize the system for
20,25,30, and 40 GPa with essentially no change in the p.win file except
for a slight change to the frozen window range (to account for the increase
in the bandwidth as a function of pressure).

However, when I try to do it for 50 GPa, for the same system and
parameters, I get the error:


                  Unitarised projection of Wannier functions
>
>                   ------------------------------------------
>
>   A_mn = <psi_m|g_n> --> S = A.A^+ --> U = S^-1/2.A
>   In dis_project...  ERROR: IN ZGESVD IN dis_project
>  K-POINT NKP=            1  INFO=            7
> Exiting.......
> dis_project: problem in ZGESVD 1


I was originally using 'random' projections, since that is what has worked
for me for the previous pressures. When I saw this message I tried fiddling
with the projections, the number of wannier functions, and the number of
input bands, but nothing changed (except changing the number of wannier
functions changes the value for INFO).

Any idea what might be going wrong with this, or additional things I could
try?

Thanks for the help!

Best,
Brad
UC Berkeley
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