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[Anurag Chaudhry <anuragchaudhry@yahoo.co.uk>]

Hello Everyone,

I am doing spin polarized calculations for Eu doped insulators.  I have ABINIT 5.6.3 compiled on our cluster.  

I am using TM pseudopotentials for the LSDA calculations.  I found that running the parallel version "abinip" caused problems when I try to get a partial density of states with the prtdos 3 option.  Whereas the same input file produced correct output when I run the serial binary "abinis".

The problem is that spin down channel for all elements (magnetic or non-magnetic) is empty and this repeats for any compound I try running with abinip.  I had a similar problem with version 5.5.3 and 4.6 earlier and came to know that this was a bug.

As long as the doped supercell is few atoms (~20 atoms) I can attempt running abinis but otherwise it takes far too long to get the partial DOS.  If you like I can post the input file and also the partial DOS output file.

If anyone knows a solution to this issue can they please share it with me ?

best regards,

Anurag