Re: [SIESTA-L] orderN problem

2009-06-30 Thread apostnik
Dear Shi, the problem is incompatibility of the DM file as was previously stored with the new calculation. If you don't see an obvious reason why it might have occur, simply remove (or rename) your .DM file and start from scratch. However, starting OrderN from scratch can result in other problems,

Re: [SIESTA-L] orderN problem

2009-06-30 Thread N H
The problem is probably that you have some old DM file into your directory and are using the DM.UseSaveDM = true . Regards Ney 2009/6/30 shihitwh > > Dear users, > I use the orderN to calculate a system of containing 300 atoms. At the > begging of the program, it shows that: > *iodm: Readin