import numpy as np
import matplotlib.pyplot as plt
import matplotlib as mpl
from matplotlib import rc
from matplotlib import rcParams
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def color_pallette():
colors={'airforceblue':[0.36, 0.54, 0.66],
'antiquefuchsia':[0.57, 0.36, 0.51],
'asparagus':[0.53, 0.66, 0.42],
'beaver':[0.62, 0.51, 0.44],
'bole':[0.47, 0.27, 0.23],
'cadet':[0.33, 0.41, 0.47],
'camouflagegreen':[0.47, 0.53, 0.42],
'charcoal':[0.21, 0.27, 0.31],
'darkcerulean':[0.03, 0.27, 0.49],
'darkelectricblue':[0.33, 0.41, 0.47],
'darkolivegreen':[0.33, 0.42, 0.18],
'deepchestnut':[0.73, 0.31, 0.28],
'feldgrau':[0.3, 0.36, 0.33],
'frenchlilac':[0.53, 0.38, 0.56],
'glaucous':[0.38, 0.51, 0.71],
'lapislazuli':[0.15, 0.38, 0.61]}
return(colors)
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def default_kwargs():
default_kwargs={'linewidth':2.0,
'linestyle':'-',
'alpha':1.0,
'marker': None,
'markerstyle':None}
return(default_kwargs)
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def default_for_kwargs():
default_kwargs={'draw_arrow':False,
'grid':True,
'figsize':(5.0,5.0),
'fname':'plot',
'format':'pdf',
'fontsize':16,
'first': True}
return(default_kwargs)
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def set_plots(func):
def inner(*args,**kwargs):
for key in default_for_kwargs().keys():
if (key not in kwargs.keys()):
kwargs[key] = default_for_kwargs()[key]
font = kwargs['fontsize']
if ('style' in kwargs.keys()):
if (kwargs['style'] == 'tex'):
rc('text',usetex=True)
rc('font',family='serif')
mpl.rcParams['axes.linewidth'] = 1.5
rcParams.update({'figure.autolayout': True})
font = 16
if (kwargs['first'] == True):
fig = plt.figure(figsize=kwargs['figsize'])
if (kwargs['grid'] == True):
plt.grid()
if ('xlabel' not in kwargs.keys()):
plt.xlabel('Wavevector', fontsize = font)
else:
plt.xlabel(kwargs['xlabel'], fontsize = font)
if ('ylabel' not in kwargs.keys()):
plt.ylabel('$E$ [eV]',fontsize=font)
else:
plt.ylabel(kwargs['ylabel'], fontsize = font)
if ('xticks' not in kwargs.keys()):
plt.xticks(fontsize = font)
else:
if('xtick_pos' not in kwargs.keys()):
leng = np.linspace(0,1,len(kwargs['xticks']))
else:
leng = kwargs['xtick_pos']
kwargs['leng']=leng
plt.xticks(leng,kwargs['xticks'],fontsize=font)
if ('yticks' not in kwargs.keys()):
plt.yticks(fontsize = font)
else:
if('ytick_pos' not in kwargs.keys()):
pass
else:
lengy = kwargs['ytick_pos']
kwargs['lengy'] = lengy
if ('color' not in kwargs.keys()):
kwargs['color'] = 'k'
else:
if(kwargs['color'] == 'EPWpy'):
print(color_pallette()['asparagus'])
kwargs['color'] = color_pallette()['asparagus']
if ('color_c' not in kwargs.keys()):
kwargs['color_c'] = 'k'
else:
if(kwargs['color_c'] == 'EPWpy'):
print(color_pallette()['asparagus'])
kwargs['color_c'] = color_pallette()['asparagus']
if ('color_v' not in kwargs.keys()):
kwargs['color_v'] = 'k'
else:
if(kwargs['color_v'] == 'EPWpy'):
kwargs['color_v'] = color_pallette()['bole']
if ('x' not in kwargs.keys()):
kwargs['x']=None
func(*args,**kwargs)
if ('legend' in kwargs.keys()):
plt.legend(kwargs['legend'],fontsize = font-2, loc = 0)
filename = kwargs['fname']
frmt = kwargs['format']
#plt.savefig(f'{filename}.{frmt}',dpi=200,format=kwargs['format'])
#plt.show()
#plt.close()
return inner
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def plot_band_eig(fname):
Band=[]
t=0
Band_tmp=[]
with open(fname,'r') as f:
AA=[]
KK=[]
for line in f:
words=line.split()
if(len(words)>1):
if((len(words)>4) & (words[0] !='k') & ('&plot' not in words)):
for i in range(len(words)):
try:
AA.append(float(words[i]))
except ValueError:
continue
elif(((len(words) in [3,4]) | (words[0]=='k')) & (len(AA)>0) & ('plot' not in words)):
Band.append(AA)
AA=[]
KK=[]
if (len(AA) > 0):
Band.append(AA)
Band=np.array(Band)
return(Band)
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def plot_band_scf(fname):
Band=[]
t=0
Band_tmp=[]
dec=1000
with open(fname,'r') as f:
AA=[]
KK=[]
for line in f:
L=line.split()
if(len(L)>2):
if((L[0]=='Writing')&(L[2]=='to')):
dec=1000
if((len(line.split())>1) & (dec==0)):
if(line.split()[0] !='k'):
for i in range(len(line.split())):
try:
AA.append(float(line.split()[i]))
except ValueError:
continue
elif((line.split()[0]=='k') & (len(AA)>0)):
Band.append(AA)
AA=[]
KK=[]
L=line.split()
if(len(L)>2):
if((L[0]=='End')&(L[2]=='band')):
dec=0
if(len(AA)>0):
Band.append(AA)
Band=np.array(Band)
#print(np.shape(Band))
return(Band)
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@set_plots
def plot_xy(*args,**kwargs):
"""
plotting function for a general xy
"""
for key in default_kwargs().keys():
if (key not in kwargs):
if (default_kwargs()[key] !=None):
default_kw[key] = default_kwargs()[key]
else:
default_kw[key] = kwargs[key]
x=args[0]
y=args[1]
for i in range(len(Band[0,:])):
plt.plot(x,Band[:,i],color=kwargs['color'],**default_kw)
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@set_plots
def plot_band_prod(*args,**kwargs):
Band=args[0]
ef0=kwargs['ef0']
x=kwargs['x']
t=0
val=-100000
val_k=0
con=100000
con_k=0
con_b=0
con_b2=0
con_k2=0
val_b=0
low=0#44
high=8
default_kw = {}
kwargs['fname']='bandstructure'
for key in default_kwargs().keys():
if (key not in kwargs):
if (default_kwargs()[key] !=None):
default_kw[key] = default_kwargs()[key]
else:
default_kw[key] = kwargs[key]
if x is None:
x=np.linspace(0,1,len(Band[:,0]))
for i in range(len(Band[0,:])):
for j in range(len(Band[:,i])):
if((Band[j,i]-ef0>=val) and (Band[j,i]<ef0)):
val=Band[j,i]-ef0
val_k=x[j]
val_b=i
con_b2=j
if((Band[j,i]-ef0<=con) and (Band[j,i]>ef0)):
con=Band[j,i]-ef0
con_k=x[j]
con_b=i
for i in range(len(Band[0,:])):
if(i>val_b):
l1 = plt.plot(x,Band[:,i]-ef0,color=kwargs['color_c'],**default_kw)
else:
l1 = plt.plot(x,Band[:,i]-ef0,color=kwargs['color_v'],**default_kw)
if (kwargs['draw_arrow'] == True):
plt.scatter(con_k,con,color='r',s=100.0)
plt.scatter(val_k,val,color='black',s=100.0)
plt.arrow(val_k,val,(con_k-val_k),(con-val),width=0.01,length_includes_head=True,head_width=0.1)
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@set_plots
def plot_band_freq(*args,**kwargs):
Band=args[0]#['Band']
x=kwargs['x']
if x is None:
x=np.linspace(0,1,len(Band[:,0]))
for i in range(len(Band[0,:])):
plt.plot(x,Band[:,i],color=kwargs['color'])
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def read_exp(file):
EXP=[]
with open (file,'r') as f:
for line in f:
EXP_temp=[]
for i in range(len(line.split())-2):
try:
EXP_temp.append(float(line.split()[i]))
except ValueError:
EXP_temp.append(1e-3)
print('nothing')
if(len(EXP_temp)>0):
EXP.append(EXP_temp)
f.close()
EXP=np.array(EXP)
Exp_energy=(2*c*hbar*(math.pi/(EXP[:,0]*1*10**-7)))
Exp_alpha=EXP[:,1]
return(Exp_energy,Exp_alpha)
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def open_sup(file):
A=[]
with open(file,'r') as f:
next(f)
for line in f:
A.append(np.array(line.split()).astype(float))
return(np.array(A))
