Error in Run

Vasp transition state theory tools

Moderator: moderators

Post Reply
Posts: 4
Joined: Wed Sep 13, 2017 11:45 pm

Error in Run

Post by meb7pz »

I received the following error attempting to run an dimer run on CH4 adsorbing to Pt11, after running,,

running on 128 total cores
distrk: each k-point on 128 cores, 1 groups
distr: one band on 16 cores, 8 groups
using from now: INCAR
vasp. (build Aug 01 2018 12:46:23) complex

POSCAR found type information on POSCAR Pt C H4 (P ~ CO (V
ERROR: the type information is not consistent with the number of types

Any thoughts?

I have attached my /NEB directory with /dim subdirectory.
(611.17 MiB) Downloaded 1924 times
Post Reply