VASP Forum

Hi guys

I'm doing an MD run using an MLFF on MgCl2 in water and wanted to know how I can write the velocities of the each the Mg ion in each step to the trajectory file (XDATCAR) like cp2k.

I checked and the documentation said to use the VELOCITY tap write the ionic velocities to vaspout.h5 file. Yet I don't see that file
Would you mind checking my INCAR to see if I've laid it out correctly?
I'm using vasp 6.4.2

Best wishes
Mo

Dear Mo,

Did you enable HDF5 in you VASP build?
You need to build VASP with the hdf5 support to be able to read/write into vaspout.h5. See the corresponding section on our wiki.

Best wishes,
Alexey