Re: [SIESTA-L]

2007-10-30 Thread lan haiping
Dear kou you can look through the user guide , all details are given there. for your this problem, you can use keywords SpinPolarized DM.InitSpinAF DM.InitSpin to control your calculation。 Bests Hai-Ping On 10/30/07, 寇良志 <[EMAIL PROTECTED]> wrote: > > Hello,everyone > I'm trying to study magneti

Re: [SIESTA-L] Problem with optical properties

2007-10-30 Thread N H
At first, Thanks for your reply Mr. Natanzon! Well, may be i wrong, but I dont think that the calculation had finished well, just because I couldent get my command line back and no .EPSIMG file was generated. The program only stop working and when there no process related to siesta runing when I

[SIESTA-L]

2007-10-30 Thread 寇良志
Hello,everyone I'm trying to study magnetism of some materianls with SIESTA. But I don't know how to set some parameters. Who can provide a SIESTA input file for study magnetism? Thanks a lot! kouliangzhi