UT theoretical chemistry code forum

When I use three times nodes in Pt111 case than Pt100 case, the Pt111 case works. In Pt100 case, six images in the job and I used 6 nodes(each node has eight processors). and in Pt111 case, now seems at least 18 nodes are needed to run the job. Graeme, Could you please tell me how to send the inputs...

The new neb.F was download and the NEB was reinstalled. seems the new neb.F is unable to solve ths problem. The stack and data were set unlimited. The error seems weird that NEB does not work for Pt111 surface reaction , whereas works Pt100 for same size systms. Vasp relaxation of system containing ...

Hello, The same error message arised when I run the vasp-NEB jobs in IBM Power5 and Linux Cluster. The installation of NEB and vasp job running are fine on both machines. When I tested vasp-NEB job, one system which is reaction on Pt(100) surface works fine so far. When I tested the reaction on Pt(1...

Thank andri for the reply, When I submit a job, the job ended shortly since no POSCAR founded. In the directory of /vaspneb, there are INCAR KPOINTS and POTCAR and sub-directory 00 01 ..., which contain POSCARS. The directory of /vaspneb was the executable directory. Could anyone please give me some...

hello,

I am a new user for NEB method.
Could anyone please tell me whether the endpoint configurations should be put in different directories?

Is there any typical INCAR file for NEB available?

Many thanks!

Steve