UT theoretical chemistry code forum

Please find the attached tar directory.

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 ...

Dear Graeme,

Thanks for your reply. May please know how to perform the calculation using the vtstcode and how to run a dynamical matrix calculation.

Thanks and Regards,
Manzoor

I am attaching the NEB.tar file here which contains my calculations

Manzoor

I am new VASP and i am trying to find the minimum energy pathway for CO oxidation on Au8 cluster using NEB. I am using the INCAR given below. I have some questions and confusions which i am putting as under.

1) Whether my INCAR tags are appropriate for the calculation
2) How to know which image is ...