Hi, Alan Thank you very much. I think you are right. I will check it.
2009/10/31 Alan B. de Oliveira <[email protected]>: > > Hi Yuhang Jing, > > You probably changed from SZ to DZP into the same > directory you simulated your system using the SZ basis. > So SIESTA reads saved files from your SZ simulation. > > Start the DZP run without the files from the SZ job. > > Hope it helps, > > Alan. > > > > > > > > On Oct 31, 2009, at 2:32 PM, yuhang jing wrote: > >> 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 > > -- Yours Sincerely Yuhang Jing
