If it helps, and to compelement Nicolas' e-mail, I recall seeing a paper by Wei Cai and Giulia Galli on the subject of finite magnetic fields and DFT with periodic boundary conditions:
http://prl.aps.org/abstract/PRL/v92/i18/e186402 Ab Initio Calculations in a Uniform Magnetic Field Using Periodic Supercells I will not be able to give details, it is not my work. It is just to indicate that something on this subject has been done. I will agree with Nicolas and Riccardo that hurried, pressing e-mails usually do not help very much in getting help, and that an e-mail list is never a good substitute for a thorough literature review, including manuals. It is hard for somebody else to set up your problem unless there is a vested interest on your work (as in, for example, a collaborative effort). Cheers, -Salvador. ----- Original Message ----- From: "Nicolas Leconte" <lecontenico...@gmail.com> To: siesta-l@uam.es Sent: Thursday, January 5, 2012 9:10:38 AM Subject: Re: [SIESTA-L] Why does not anyone answer the question? Hi Majid, I think it is always important to clarify what you already did to solve your problem by mentioning how it worked and where you got stuck. Simply mentioning you looked in the manual but didn't find anything is already a good start. A very general question without background or personal work is not likely to get any attention from other users. Concerning the magnetic field. What kind of magnetic field do you want do you want to use. Does your (finite) field has to couple with the spin? With the orbital motion of the electrons? Anyways, I don't think the latter is available in any public version of any periodic boundary condition ab initio code. For sure not in SIESTA. I think the best you could do in SIESTA is impose a fully ferromagnetic state of your system by fixing your spins (see DM.InitSpinAF) all up. Do a same non-spin polarized calculation. And process both these systems using Transiesta or Smeagol to get transport quantities. See their respective manuals to learn how to use them. Transport in ab initio calculations is a field on its own, so it will certainly take some time to master these tools. But as you can not vary any external magnetic field, you won't get B-dependent curves. Good luck! Sincerely, Nicolas On Thu, Jan 5, 2012 at 3:48 PM, majid fathiyan < mfathiya...@gmail.com > wrote: I searched but nothing found in manual On 1/5/12, Riccardo Rurali < rrur...@icmab.es > wrote: >>> Why does not anyone answer the question? > > Maybe because people think that you should figure it out yourself by simply > looking in the manual. > > Riccardo > > > ----- Original Message ----- > From: "majid fathiyan" < mfathiya...@gmail.com > > To: siesta-l@uam.es > Sent: Thursday, January 5, 2012 1:36:53 PM > Subject: [SIESTA-L] Why does not anyone answer the question? > > ** *** **** ** *** > hi > How do I apply a magnetic field And also compute resistance , current > and or Voltage by SIESTA code? > i am studying effect GMR for Cu-Co > Why does not anyone answer the question!!!!!!!!!!!? > please help me > thank you >
