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- class GSData:
- def __init__(self, sysname, directory=os.cwd):
- file_k = os.path.join(directory, "%s_k.data" % sysname)
- file_eigen = os.path.join(directory, "%s_eigen.data" % sysname)
- data_k = np.loadtxt(file_k, usecols=[1, 2, 3, 4], dtype=float)
- data_eigen = np.loadtxt(file_eigen, usecols=[2, 3], dtype=float)
- homo = np.amax(data_eigen[data_eigen[:, 1] > 1, 0])
- lumo = np.amin(data_eigen[data_eigen[:, 1] < 1, 0])
- self.dierctory = directory
- self.sysname = sysname
- self.k = data_k
- self.eigen = data_eigen.reshape([len(data_k), -1, 2])
- self.homo = homo
- self.lumo = lumo
- self.fermi = (homo + lumo) * 0.5
- def __repr__(self):
- return '<SALMON Eigen {SYSNAME} on {DIRECTORY}>'.format(
- SYSNAME = self.sysname, DIRECTORY = seld.directory,
- )
- def calc_dos()
- class RTData:
- class PData:
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