UT theoretical chemistry code forum

I have calculate the transition state between two stable ones with dimer method. But the resulted transition state haves two imaginary frequencies. I have recalculated the transition state with a more precise parameter (EDIFFG = -0.01), but the imaginary frequency is not changed. So, what could I do...

The vasp user guide says MPI_CHAIN "supports the nudged elastic band method".
But this tag is not used in the makefile supplied by the vasp group.

Thanks for your advices, sir I remove the "-DMPI_CHAIN" from makefile and recompile the code. It does work. The calculation can normally run. But the DIMCAR is not same as result from http://theory.cm.utexas.edu/vtsttools/dimer/ . Is the result right? [zhoub@nsi dimrun]$ cat DIMCAR Step Fo...

I have tried the example " H diffusion in a frozen Ir lattice" from http://theory.cm.utexas.edu/vtsttools/dimer/ and terminated in the same way. ==========poscar============= Ir H 3.843478532500000 1.0000000000000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 1.00000000000000...

Hi,
I want seach transition state with dimer method. The programe terminated in an information "The IMAGES tag should not be set for this implementation of the dimer method.", although the tag "IMAGES" are not in INCAR file.

could anybody give me some advices?

Thanks in advance.