I've completed self consistent GW calculations on the material I'm working on, and then I went to go back to create MLWF's using the WFK, KSS, & QPS files. When I did, I got the following error
listkk : Bug -
The minimum square of dk has negative norm: dksqmn= -1.000000000E0
Action : Contact abinit group.
Any idea why this would happen? I've attached my input file. The KSS, WFK, DEN, QPS files have been renamed to XXXX_i_KSS, XXXX_i_WFK etc.
--James
listkk : Bug
Moderators: maryam.azizi, bruneval
listkk : Bug
- Attachments
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- C4F_GW__Wannier.in
- (1.16 KiB) Downloaded 277 times