FBFM.py 文件源码

def FBFMPOS(engine,app):
    '''
    This method calculates the profiles of spin-1-excitation states.
    '''
    result=[]
    table=engine.config.table(mask=['spin','nambu'])
    U1,U2,vs=engine.basis.U1,engine.basis.U2,sl.eigh(engine.matrix(k=app.k),eigvals_only=False)[1]
    for i,index in enumerate(sorted(table,key=table.get)):
        result.append([i])
        gs=np.vdot(U2[table[index],:,:].reshape(-1),U2[table[index],:,:].reshape(-1))*(1 if engine.basis.polarization=='up' else -1)
        dw=optrep(HP.FQuadratic(1.0,(index.replace(spin=0,nambu=HP.CREATION),index.replace(spin=0,nambu=HP.ANNIHILATION)),seqs=(table[index],table[index])),app.k,engine.basis)
        up=optrep(HP.FQuadratic(1.0,(index.replace(spin=1,nambu=HP.CREATION),index.replace(spin=1,nambu=HP.ANNIHILATION)),seqs=(table[index],table[index])),app.k,engine.basis)
        for pos in app.ns or (0,):
            result[-1].append((np.vdot(vs[:,pos],up.dot(vs[:,pos]))-np.vdot(vs[:,pos],dw.dot(vs[:,pos]))-gs)*(-1 if engine.basis.polarization=='up' else 1))
    result=np.asarray(result)
    assert nl.norm(np.asarray(result).imag)<HP.RZERO
    result=result.real
    name='%s_%s'%(engine,app.name)
    if app.savedata: np.savetxt('%s/%s.dat'%(engine.dout,name),result)
    if app.plot: app.figure('L',result,'%s/%s'%(engine.dout,name),legend=['Level %s'%n for n in app.ns or (0,)])
    if app.returndata: return result