duchl06 wrote: > thanks every one's reply! > hi, Hui Wang > the example you supplied is a calculation for a antiferromagnetic > material, i mean how to set the start magnetic moment for the > diamagnetic material,
Diamagnetic material in absence of an external magnetic field should have no net magnetic moment per atom, if I'm not wrong. So it is not clear to me what do you want to study and if all these suggestions are pointing you to the correct solution. If you want to study a diamagnetic material in absence of magnetic field there should be no need for a spin-polarized calculation. So, just to agree on the starting point of your question: what you mean with diamagnetic material is really what people usually refer to? Can you give us more details on the system you want to address? What properties do you want to study? ... Regards, GS > > > > best regards! > > > graduate student: chen > xiaguanying university > -- o ------------------------------------------------ o | Gabriele Sclauzero, PhD Student | | c/o: SISSA & CNR-INFM Democritos, | | via Beirut 2-4, 34014 Trieste (Italy) | | email: sclauzer at sissa.it | | phone: +39 040 3787 511 | | skype: gurlonotturno | o ------------------------------------------------ o
