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by chenggd
Thu Sep 08, 2016 4:15 am
Forum: Improving ABINIT
Topic: positron doppler calculation errors !
Replies: 0
Views: 2846

positron doppler calculation errors !

Hi ABINITers, 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 paw...