[Pw_forum] Error during phonon calculation
Hong, SamPyo
likedew at phys.ksu.edu
Sun Sep 14 21:42:03 CEST 2003
Hi,
During phonon calculation, I got this error. I don't understand what
these errors are about.
I appreicate any of your adivces !
Sampyo
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iter # 12 total cpu time : 41698.2 secs av.it.: 10.9
thresh= .402E-05 alpha_mix = .100 |ddv_scf|^2 = NaNQ
kpoint 1 ibnd 82 linter: root not converged -NaNQ
kpoint 2 ibnd 82 linter: root not converged -NaNQ
kpoint 3 ibnd 82 linter: root not converged -NaNQ
kpoint 4 ibnd 81 linter: root not converged -NaNQ
kpoint 5 ibnd 80 linter: root not converged -NaNQ
kpoint 6 ibnd 80 linter: root not converged -NaNQ
kpoint 7 ibnd 80 linter: root not converged -NaNQ
Pert. # 1: Fermi energy shift (Ryd) = -NaNQ -NaNQ
DSWAP : 2538-2001
The number of elements (ARG NO. 1) in a vector must be greater than
or equal to zero.
DSWAP : 2538-2099
End of input argument error reporting. For more information, refer to
Engineering and Scientific Subroutine Library Guide and Reference
(SA22-7272).
DSWAP : 2538-2604
Execution terminating due to error count for error number 2099.
DSWAP : 2538-2605
Message summary: 2001 - 1
DSWAP : 2538-2605
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