Hi, Siesta users I have relaxed a silicon nanowire using SZ PAO.BasisSize and I could obtain the results. However, there is some error using DZP PAO.BasisSize. The following is the information of error. Could you tell me the reason? Thanks a lot.
outcell: Cell vector modules (Ang) : 16.293000 20.000000 20.000000 outcell: Cell angles (23,13,12) (deg): 90.0000 90.0000 90.0000 outcell: Cell volume (Ang**3) : 6517.2000 chkdim: ERROR: In iodm, dimension nbasis = 1698. It must be exactly 474 Stopping Program from Node: 1 [1] MPI Abort by user Aborting program ! iodm: Reading Density Matrix from files chkdim: ERROR: In iodm, dimension nbasis = 1698. It must be exactly 474 Stopping Program from Node: 0 [0] MPI Abort by user Aborting program ! -- Yours Sincerely Yuhang Jing
