about the variable "fixmon"
Posted: Fri Aug 26, 2011 4:12 am
hi,everyone!
I want to ask some questions about the varialble "fixmon".
I want to use abinit to calcalte somthing about Fe.
Because Fe has a lot of magnetic states, if i want to calcalate ,for example , Fe16N, how to I set the system in some definite magenetic state?
I calculate the bcc Fe in Fm state, and found the magneton is about 2.235. then, how to i set the system Fe16N in bcc Fe FM state?
I found the variable " fixmon" in abinit tutorial, can i use this variable to reach my destination?
fixmon 35.76( 16 Fe in Fe16N,so 16*2.235)
this is ok ?
think you!
hhwj
I want to ask some questions about the varialble "fixmon".
I want to use abinit to calcalte somthing about Fe.
Because Fe has a lot of magnetic states, if i want to calcalate ,for example , Fe16N, how to I set the system in some definite magenetic state?
I calculate the bcc Fe in Fm state, and found the magneton is about 2.235. then, how to i set the system Fe16N in bcc Fe FM state?
I found the variable " fixmon" in abinit tutorial, can i use this variable to reach my destination?
fixmon 35.76( 16 Fe in Fe16N,so 16*2.235)
this is ok ?
think you!
hhwj