Re: [SIESTA-L] multiple LDOS output

2008-11-06 Thread Javad Hashemi
Hi Ruslan you can use the old .DM file to make and it will converge within couple of iteration. Though it still take while to produce the results. add in your output DM.UseSaveDM .true. and include the old SystemLabel.DM in the same directory in which you are running your calculatio

[SIESTA-L] multiple LDOS output

2008-11-06 Thread Руслан Жачук
Dear SIESTA users, how to generate output for multiple LDOS, each one with its own Uinitial and Ufinal? The system is quite large (about 200 Si atoms) and it takes a long time for SCF to get solution. And then I got only one LDOS for single Uinitial and Ufinal values. Should I save some values f