def action():
import os
import pickle
if os.path.exists('var.pkl'):
with open('var.pkl', 'rb') as f:
return pickle.load(f)
if os.path.exists('input.fdf'):
soft = 'tdap'
elif os.path.exists('input.in'):
soft = 'tdpw'
input = 'input.in'
output = 'result'
elif os.path.exists('tdap.in'):
soft = 'tdpw'
input = 'tdap.in'
output = 'tdap.out'
if soft == 'tdap':
from py3ramids.io.SIESTA_interface import TdapVarible
var = TdapVarible()
else:
from py3ramids.io.ESPRESSO_interface import TdpwVarible
var = TdpwVarible(inputFile=input, outputFile=output)
with open('var.pkl', 'wb') as f:
pickle.dump(var, f)
return var
ax[0],
ylabel='Re $\epsilon$ (a.u.)',
xlabel='Energy (eV)',
ylimits=[-0.02, 0.02],
#xlimits=[0,10]
)
if __name__ == '__main__':
import os
if os.path.exists('input.fdf'):
soft = 'tdap'
elif os.path.exists('input.in'):
soft = 'tdpw'
if soft == 'tdap':
from py3ramids.io.SIESTA_interface import TdapVarible
var = TdapVarible()
else:
from py3ramids.io.ESPRESSO_interface import TdpwVarible
var = TdpwVarible()
import matplotlib.pyplot as plt
fig, ax = plt.subplots(2, 1, figsize=(8, 8), sharex=True)
plot(ax, var)
plt.tight_layout()
SaveName = __file__.split('/')[-1].split('.')[0]
plt.savefig(SaveName + '.pdf')