mirror of
https://github.com/triqs/dft_tools
synced 2024-11-07 22:53:50 +01:00
29d2bf8d50
build_sigma_from_txt.py deleted as reading a gf
from a file is now implemented in gf.local.tools
34 lines
1.2 KiB
Python
34 lines
1.2 KiB
Python
from pytriqs.archive import *
|
|
from pytriqs.gf.local import *
|
|
from pytriqs.gf.local.tools import *
|
|
from pytriqs.applications.dft.sumk_dft_tools import *
|
|
import numpy as np
|
|
|
|
# Read self energy from hdf file
|
|
ar = HDFArchive('SrVO3_Sigma.h5','r')
|
|
Sigma_hdf = ar['dmft_transp_input']['Sigma_w']
|
|
|
|
# Save self energy to txt files
|
|
for name, s in Sigma_hdf:
|
|
mesh = np.array([p for p in s.mesh]).reshape(-1,1).real
|
|
re_data = s.data.real.reshape((s.data.shape[0],-1))
|
|
im_data = s.data.imag.reshape((s.data.shape[0],-1))
|
|
|
|
mesh_a_data = np.hstack((mesh,re_data,im_data))
|
|
np.savetxt('Sigma_' + name + '.dat', mesh_a_data)
|
|
|
|
# Read self energy from txt files
|
|
SK = SumkDFTTools(hdf_file = 'SrVO3.h5', use_dft_blocks = True)
|
|
|
|
a_list = [a for a,al in SK.gf_struct_solver[0].iteritems()]
|
|
g_list = [read_gf_from_txt([['Sigma_' + a + '.dat']], a) for a in a_list]
|
|
Sigma_txt = BlockGf(name_list = a_list, block_list = g_list, make_copies=False)
|
|
|
|
SK.put_Sigma(Sigma_imp = [Sigma_txt])
|
|
|
|
SK.hdf_file = 'sigma_from_file.output.h5'
|
|
SK.save(['Sigma_imp_w'])
|
|
|
|
if ((Sigma_txt - Sigma_hdf).real < 1e-6) & ((Sigma_txt - Sigma_hdf).imag < 1e-6):
|
|
print 'Conversion: HDF -> TRIQS -> TXT -> TRIQS successful!'
|