[ase-users] Call for OUTCARs

Gaël Donval gael.donval at cnrs-imn.fr
Wed Apr 3 17:45:07 CEST 2013


Dear ASE/VASP users,

I'm almost finished with the complete rewrite of
ase.io.vasp.read_vasp_out.

I'm glad to get the same output as the original function in 1/1000th of
the time and 1/10th of the memory with a 200 MB OUTCAR (buffering
enabled).  But for now this is v5.x-only and without magnetization.

I'd like to gather some OUTCAR files to test this new implementation and
to implement the remaining parts (magnetization and VASP 4.x OUTCAR file
parsing).

So, if someone still have old OUTCAR files from VASP v4.x and/or VASP
v5.x files with magnetization, even very short ones, would you mind
sending them to me? 

Thanks in advance

Gaël




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