positron doppler calculation errors !

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positron doppler calculation errors !

Post by chenggd » Thu Sep 08, 2016 4:15 am


I would like to calculate the Doppler broadening of the electron-positron annihilation radiation. in v8.0.8b. Always diplay an error! Error is as follows:

--- !BUG
src_file: posdoppler.F90
src_line: 258
mpi_rank: 7
message: |
<p|Psi> (cprj) datastructure must be kept in memory (see pawusecp input keyword)!.....

I change the pawusecp setting, but the error is still there. Can anyone provied a help? That will be much appreciated.