UT theoretical chemistry code forum

Dear Sir,

I have compiled vasp.5.3 with your VTST Code successfully. However, when i am trying to do a NEB calculation, the job finishes abruptly, although other vasp jobs run successfully with this compiled vasp binary. I am attaching a tar file of my calculation directory. Kindly look into it and suggest me where i am going wrong.

Best Wishes & Regards,
Manzoor

Please find the attached tar directory.

You could use our TSASE code, which uses forces and energy from LAMMPS. In this way you can use our NEB (which will not enforce minimization of the endpoints) with the same forces and energy that you are using in LAMMPS.