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Hi all,

When I do HSE calculation, I always get error like:
ROT: 52 -0.512664845560E+05 0.16667E+04
ROT: 53 -0.529331275721E+05 -0.16666E+04
ROT: 54 -0.512664880920E+05 0.16666E+04
ROT: 55 -0.529331222301E+05 -0.16666E+04
ROT: 56 -0.512664904293E+05 0.16666E+04
ROT: 57 -0.529331186988E+05 -0.16666E+04
ROT: 58 -0.512664919747E+05 0.16666E+04
ROT: 59 -0.529331163645E+05 -0.16666E+04
ROT: 60 -0.512664929960E+05 0.16666E+04
gam=****** g(H,U,f)= 0.256E+01 0.170E+02 0.270E+04 ort(H,U,f) = 0.233E+01-0.105E+02-0.190E+04
LAPACK: Routine ZTRTRI failed! 1
LAPACK: Routine ZTRTRI failed! 1
LAPACK: Routine ZTRTRI failed! 1
LAPACK: Routine ZTRTRI failed! 1

What does "LAPACK: Routine ZTRTRI failed!" mean?
how to resolve this problem?

Thanks a lot!

this calculation does not converge at all, please provide some details about your inputs