Density of States Analysis Example

Given sample and empty-can data, compute phonon DOS
To use this notebook, first click jupyter menu File->Make a copy
Click the title of the copied jupyter notebook and change it to a new title
Start executing cells

Preparation



In [1]:

    
# where am I now?
!pwd









    



/SNS/users/lj7/dv/sns-chops/multiphonon/tests/notebooks



In [2]:

    
# create a new working directory and change into it
workdir = '~/reduction/ARCS/getdos-multiple-Ei-demo'
!mkdir -p {workdir}
%cd {workdir}









    



/home/lj7/reduction/ARCS/getdos-multiple-Ei-demo



In [3]:

    
# Data to reduce. Change the IPTS number and run numbers to suit your need
samplenxs = "/SNS/ARCS/IPTS-15398/shared/mantid_reduce/non-radC/non-radC_130p00.nxspe"
mtnxs = "/SNS/ARCS/IPTS-15398/shared/mantid_reduce/MT/MT_130p00.nxspe"
initdos = '/SNS/ARCS/IPTS-15398/shared/getdos/graphite-Ei_300-dos.h5'

Run GetDOS



In [9]:

    
# import tools
import os, numpy as np
from multiphonon.getdos import notebookUI
import histogram.hdf as hh, histogram as H
%matplotlib notebook
from matplotlib import pyplot as plt



In [5]:

    
# create the UI for the first time
notebookUI(samplenxs, mtnxs, initdos=initdos, load_options_path='/SNS/ARCS/IPTS-15398/shared/getdos/130meV-getdos-opts.yaml')

Check output



In [6]:

    
ls work/









    



dirdydos/         iqe.h5.bkup-wrongEaxis     mt-iqe.nxs              round-2/
final-dos.h5      iqe.nxs                    plot_dos_iteration.py*
getdos-opts.yaml  mt-iqe.h5                  round-0/
iqe.h5            mt-iqe.h5.bkup-wrongEaxis  round-1/



In [16]:

    
dos0= hh.load(initdos)
plt.plot(dos0.E, dos0.I, '+', label='DOS from Ei=300meV data')
dos = hh.load('work/final-dos.h5')
plt.plot(dos.E, dos.I, label='new DOS')
plt.xlim(0, 230)
plt.legend(loc='top left')









    














    











    Out[16]:





<matplotlib.legend.Legend at 0x7f5daecab310>

Refine GetDOS



In [ ]:

    
# if you need to run getdos again with slightly modified options
# you can start from the previous settings
notebookUI(samplenxs, mtnxs, load_options_path="./work/getdos-opts.yaml")