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Musa2

< Installation instructions | Index | Muon Site Determination >

New version

A new version is available ad the following address:

https://gitorious.org/musa

How to setup:

1. download and install spglib (http://spglib.sourceforge.net/)
2. go to MUSA_ROOT/musa/modules/clfc/ and type 'make' (or 'make parallel' if you use a multicore system)
3. export PYTHONPATH=/path/to/musa:$PYTHONPATH (replace with correct path)
4. Look at the examples for the details on the usage. The best experience is obtained with ipython --autocall 2
   %run pyplot.py
   plt.show()
   # to go to interactive mode
   plt.ion()
   again()
   plottrueall8(5205.2,0.3,0.1,0.05,-.05,.08,0,-0.38,0,theta)
   plottrueall41(5205.2,0.0115,0,0,0,0,0,-0.38,0,theta,True)
   --------

Old version

• new quick&dirty version jimi **

ipython
In [1]: %load musa.py

The new q&d syntax, that allows to run musa commands from the ipython prompt, i.e. to have musa AND ipython in the same workspace, is

In [n]: jimi.musacommand.do_musacommand

where musacommand is one of the commands listed here below (load_xsf, print, show_xsf, mo, muon, supercell, addmuon, lfc) with their parameters. Only exception

jimi.xsf.do_load_xsf
jimi.xsf.do_show_xsf

• Installation of musa for python 2.6 and above **

(this open software is used for visualization inside musa)

), or alternative (xcrysden input) for the ... lattice

upload a typical musa session

• Skeleton dipolar sum flow **

 load the lattice;
 insert the muon site;
 define the magnetic cell;
 define a supercell (the sums are within the largest sphere contained in the supercell);
 [visualize different stages of the process]
 calculate the dipolar field

Remind that musa has tab completion

For the time being only .xsf works, only magnetic structures with one propagation vector (1-k structure). Remember that musa2 relies on the provided cell which might not be the unit magnetic cell, hence you might need to define a basis by means of the propagation vector.

 load_xsf [path/]filename.xsf

(loads the lattice)

 print 

(shows the lattice data)

 show_xsf

(activates xcrysden viewer, must be killed when done)

 mo set pv 0 0 0

(defines pv, propagation vector, 0 0 0 equals no propagation vector)

 mo set otype 0

(type of magnetic order, 0 is default, Néel, commensurate magnetic structure; 1 spin density waves, i.e. real spin amplitude modulation, type 2 is 1-k complex spin amplitude modulation, e.g. spirals)

 mo set fc Ni

(fc is Fourier component, real amplitude for type 0,1)

 mo set ifc Ni

(ifc is complex Fourier component, real and imag amplitude for type 2) In both fc and ifc cases musa2 asks for as many Ni atoms as one has in the cell and requires either 3 or 6 input numbers per atom; can be repeated for other magnetic species.

 show_xsf

(activates xcrysden viewer, inside xcrysden: f for showing vector, shows only real part)

 supercell build m n l mo

(constructs mxnxl cell, mo stands for magnetic only, i.e. does not include other atomes in the supercell, the default option is for fmuf supercells, see below)

 supercell rotmom 1 1 0 45

(rotates all moments by the given axis, 1 1 0, and angle, 45, in degree)

 show_xsf supercell

(if the supercell is not too big! one can show it; f will display magnetic moments, using the complex wave vectro when defined)

 muon position x y z

(in crystal cell units, not supercell unit! only one muon at a time, therefore the command overrides previous definitions)

 supercell addmuon [m' n' l']

(adds the last defined muon position to the supercell, default is the central cell or closest to central, 0 0 0 is the first in the lower front left corner and m'<= m-1, n' <= n-1, l'<= l-1)

 lfc dipolar field

(calculates the local dipolar field component in Tesla for moment = 1 muB, multiply by moment in muB)

N.B. VESTA reads cif and outputs xcrystden format

• Skeleton *F-mu-F* site calculation flow **

description is work in progress

< Installation instructions | Index | Muon Site Determination >