Dear Tanmay Das ,

There doesn't seem to be BLYP-MT pseudopotential for H. I have a few questions though. What XC functional are you using in your calculations? Your calculation is likely crashing because your BLYP pseudopotentials tell QE to use the BLYP XC functional whereas the TPCC pseudopotential for H tells QE to use the TPSS XC functional. These are two completely different functionals. What functional would you like to use? You can manually tell QE which XC functional to use by setting "input_dft". If you aren't attached to TM pseudopotentials, you might be able to find good norm-conserving pseudopotentials at http://materialscloud.org/sssp, http://www.pseudo-dojo.org/, or https://github.com/pipidog/ONCVPSP. If you aren't attached to norm-conserving pseudopotentials, I recommend the GBRV pseudopotentials developed in David Vanderbilt's group (http://www.physics.rutgers.edu/gbrv/). As always, make sure to benchmark your pseudopotential calculations against all-electron calculations. I hope this was helpful. Please let me know if you have any further questions.

Best,

Rob

You can create such pseudo potentials using ps library. From their you can generate pseudo potentials of all type.

https://dalcorso.github.io/pslibrary/

Download the latest package from their and install accordingly.