Good, when i add SpinPolarized .false. , it work. thank you very much ~ ~
At 2011-05-17 02:17:47，"Nicolas Leconte" <[email protected]> wrote: Make sur you're not using an existing density matrix of different dimension. This happens for instance when going from a non-spin-polarized run to a spin-polarized one. Check for differences between the two input files and it should become quite obvious. Sincerely, Nicolas 2011/5/16 zhouge0908<[email protected]> Hi, every one, there is something wrong with my MD.TypeOfRun ParrinelloRahman . I cannot find the reason. iodm: Reading Density Matrix from files chkdim: ERROR: In iodm, dimension nbasis = 864. It must be exactly 164 Stopping Program from Node: 0 p0_32525: p4_error: : 1
