Disentangling real space fluctuations: the diagnostics of metal-insulator transitions beyond single-particle spectral functions

With this data set we provide all relevant raw data for the analyses provided in arXiv:2501.18325 via HDF5 files. The file names contain first the method (either CDMFT or the ISOLATED cluster), then the interaction value, the temperature, the doping or the chemical potential, the second next neighbor hopping and, finally, the size of the (impurity) cluster, either 1x1 or 2x2 follows. 1x1 indicates a single-site DMFT calculation.

Please use the following instructions for accessing the different types of data within the respective files:
1) For scalar quantities such as the filling "density" and the chemical potential "mu", the data is provided directly with this key.
2) For two-point fermionic objects such as the Green function "Greens_function", each entry contains two-orbital indices with keys running from 0 to 3 for the 2 times 2 cluster case. Then a key "data_Re" or "data_Im" follows. For example:
['Greens_function']['0']['0']['data_Re'] contains a 1D Matsubara data array.
3) Further, the Hedin vertex and the bosonic response functions are split into their channels: "char_ch" and "magn_ch", followed by
either "hedin" or "susceptibility"-keys. After two- or three-orbital keys "data_Re" or "data_Im" keys follow, before a respective array. For example: A['char_ch']['hedin'][str(i1)][str(i2)][str(i3)]['data_Re'] contains a 2D Matsubara data array, where the odd number of data is the values corresponding to bosonic frequencies for the positive and negative Matsubara frequencies, and the even number the respective fermionic argument.

The HDF5 files can, for instance, by access in python via https://www.h5py.org/.

本数据集提供了arXiv:2501.18325预印本中各项分析所需的全部相关原始数据，数据以HDF5（Hierarchical Data Format 5）文件格式存储。文件名的命名规则依次包含以下要素：计算方法（可选CDMFT或孤立团簇（ISOLATED cluster））、相互作用强度、温度、掺杂量或化学势、次近邻跃迁积分，以及（杂质）团簇尺寸（1x1或2x2）。其中1x1代表单位点动力学平均场（DMFT, Dynamical Mean Field Theory）计算。

请遵循以下说明读取各文件内的不同类型数据：
1) 对于填充量"density"、化学势"mu"等标量物理量，可直接通过对应键名获取数据。
2) 对于格林函数"Greens_function"这类双轨道费米子对象，当为2x2团簇情形时，轨道索引键的取值范围为0至3，每个条目包含两个轨道索引；其后可通过"data_Re"或"data_Im"键获取实部或虚部数据。示例：["Greens_function"]["0"]["0"]["data_Re"] 存储的是一维松原频率数据数组。
3) 此外，Hedin（赫丁）顶点与玻色子响应函数会按通道拆分："char_ch"对应电荷通道、"magn_ch"对应自旋磁通道，其后可接"hedin"或"susceptibility"键；随后为二或三轨道索引，再通过"data_Re"或"data_Im"键获取对应实部或虚部数据，最终得到目标数据数组。示例：A["char_ch"]["hedin"][str(i1)][str(i2)][str(i3)]["data_Re"] 存储的是二维松原频率数据数组，其中奇数维度对应正负松原玻色子频率取值，偶数维度对应费米子自变量取值。

HDF5文件可通过Python借助h5py库（https://www.h5py.org/）进行读取。