ABINIT Discussion Forums

Hi,

I'm using abinit 6.0.3. For a parallel run at the gamma point parallelized only over bands (npband=30), I used prt1dm to print the density and potential with reasonable results. But when I parallelize over bands and fft (npband=30 npfft=4), I get a lot of large negative numbers for the density in the 1DM output file.

Cheers,

Adam

could you try abinit 6.2? It sounds like you have a proper bug here, someone will have to have a look at making sure this output is correctly coded in the parallel fft case.

cheers

matthieu