.. _sphx_glr_dimer_lattice_ipt_dimer.py:


======================
IPT Solver for a dimer
======================

Simple IPT solver for a dimer

For symmetry reason only the imaginary diagonal and the real
off-diagonal parts of the block green function are stored in
disk. Keep that in mind when dealing with files



.. code-block:: python

    # Created Thu Nov 12 17:55:48 2015
    # Author: Óscar Nájera

    from __future__ import division, absolute_import, print_function
    from math import ceil, log
    import itertools
    import json
    import os
    import numpy as np
    from joblib import Parallel, delayed
    import dmft.dimer as dimer
    import dmft.common as gf
    import dmft.ipt_imag as ipt


    def loop_tp_u(tprange, u_range, beta, filestr, seed='mott gap'):

        save_dir = filestr.format(beta)
        if np.allclose(tprange, tprange[0]) and 'tp' not in save_dir:
            save_dir = os.path.join(save_dir, 'tp' + str(tprange[0]))
        elif np.allclose(u_range, u_range[0]):
            save_dir = os.path.join(save_dir, 'U' + str(u_range[0]))

        if not os.path.exists(save_dir):
            os.makedirs(save_dir)

        setup = {'beta': beta, 'tprange': tprange.tolist(),
                 'u_range': u_range.tolist()}
        with open(save_dir + '/setup', 'w') as conf:
            json.dump(setup, conf, indent=2)



.. code-block:: python


        tau, w_n = gf.tau_wn_setup(
            dict(BETA=beta, N_MATSUBARA=max(2**ceil(log(6 * beta) / log(2)), 256)))
        giw_d, giw_o = dimer.gf_met(w_n, 0., tprange[0], 0.5, 0.)
        if seed == 'mott gap':
            giw_d, giw_o = 1 / (1j * w_n - 4j / w_n), np.zeros_like(w_n) + 0j

        giw_s = []
        for tp, u_int in zip(tprange, u_range):
            giw_d, giw_o, loops = dimer.ipt_dmft_loop(
                beta, u_int, tp, giw_d, giw_o, tau, w_n, 1 / 5 / beta)
            giw_s.append((giw_d.imag, giw_o.real))
        np.save(save_dir + '/giw', np.array(giw_s))


    if __name__ == "__main__":

        tpr = np.arange(0, 1.1, 0.02)
        ur = np.arange(0, 4.5, 0.1)
        BETARANGE = [1000., 100., 30.]
        jobs = [(job.T[0], job.T[1], BETA, 'disk/phase_Dimer_ipt_met_B{:.5}', 'metal')
                for BETA in BETARANGE
                for job in np.array(list(itertools.product(tpr, ur))).reshape(len(tpr), len(ur), 2)]
        jobs += [(job.T[0], job.T[1][::-1], BETA, 'disk/phase_Dimer_ipt_ins_B{:.5}')
                 for BETA in BETARANGE
                 for job in np.array(list(itertools.product(tpr, ur))).reshape(len(tpr), len(ur), 2)]

        Parallel(n_jobs=-1, verbose=5)(delayed(loop_tp_u)(*job) for job in jobs)
        tpr = [0, .15, .3, .5]
        ur = np.arange(0, 4.5, 0.1)
        BETARANGE = 1 / np.arange(1 / 500., .14, 1 / 400)
        jobs = [(job.T[0], job.T[1], BETA, 'disk/phase_Dimer_ipt_met_tp{}/B{{:.5}}'.format(job[0][0]), 'metal')
                for BETA in BETARANGE
                for job in np.array(list(itertools.product(tpr, ur))).reshape(len(tpr), len(ur), 2)]
        jobs += [(job.T[0], job.T[1][::-1], BETA, 'disk/phase_Dimer_ipt_ins_tp{}/B{{:.5}}'.format(job[0][0]))
                 for BETA in BETARANGE
                 for job in np.array(list(itertools.product(tpr, ur))).reshape(len(tpr), len(ur), 2)]

        Parallel(n_jobs=-1, verbose=5)(delayed(loop_tp_u)(*job) for job in jobs)

**Total running time of the script:** ( 0 minutes  0.000 seconds)



.. container:: sphx-glr-footer


  .. container:: sphx-glr-download

     :download:`Download Python source code: ipt_dimer.py <ipt_dimer.py>`



  .. container:: sphx-glr-download

     :download:`Download Jupyter notebook: ipt_dimer.ipynb <ipt_dimer.ipynb>`

.. rst-class:: sphx-glr-signature

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