def vcaconstruct(name,
parameters,
sectors,
cell,
lattice,
terms,
weiss,
baths=(),
mask=('nambu', ),
**karg):
config = IDFConfig(priority=DEFAULT_FOCK_PRIORITY,
pids=lattice.pids,
map=idfmap)
vca = VCA.VCA(dlog='log',
din='data',
dout='result/vca',
name='%s_%s_%s_%s' %
(name, lattice.name, cell.name, '_'.join(
repr(sector) for sector in sectors)),
cgf=VCA.VGF(nstep=150,
method='S',
prepare=ED.EDGFP,
run=ED.EDGF),
parameters=parameters,
map=parametermap,
sectors=sectors,
cell=cell,
lattice=lattice,
config=config,
terms=[term(**parameters) for term in terms],
weiss=[term(**parameters) for term in weiss],
baths=[term(**parameters) for term in baths],
mask=mask,
dtype=np.complex128)
return vca
def test_vca(self):
print
t,U,m,n=-1.0,8.0,2,2
basis=FBasis(2*m*n,m*n,0.0)
cell=Square('S1')('1P-1P',1)
lattice=Square('S1')('%sP-%sP'%(m,n),1)
config=IDFConfig(priority=DEFAULT_FERMIONIC_PRIORITY,pids=lattice.pids,map=lambda pid: Fermi(atom=0,norbital=1,nspin=2,nnambu=1))
cgf=VCA.VGF(nstep=200,prepare=ED.EDGFP,savedata=False,run=ED.EDGF)
vca=VCA.VCA(
name= 'WG-%s-%s'%(lattice.name,basis.rep),
cgf= cgf,
sectors= [basis],
cell= cell,
lattice= lattice,
config= config,
terms= [Hopping('t',t,neighbour=1),Hubbard('U',U)],
weiss= [Onsite('afm',0.0,indexpacks=sigmaz('sp'),amplitude=lambda bond: 1 if bond.spoint.pid.site in (0,3) else -1,modulate=True)],
mask= ['nambu'],
dtype= np.float64
)
vca.add(GP(name='GP',mu=U/2,BZ=square_bz(reciprocals=lattice.reciprocals,nk=100),run=VCA.VCAGP))
vca.register(VCA.GPM(name='afm-1',BS=BaseSpace(('afm',np.linspace(0.0,0.3,16))),dependences=['GP'],savedata=False,run=VCA.VCAGPM))
vca.register(VCA.GPM(name='afm-2',BS={'afm':0.1},options={'method':'BFGS','tol':10**-4},dependences=['GP'],savedata=False,run=VCA.VCAGPM))
vca.register(VCA.EB(name='EB',parameters={'afm':0.20},path=square_gxm(nk=100),mu=U/2,emax=6.0,emin=-6.0,eta=0.05,ne=400,savedata=False,run=VCA.VCAEB))
vca.register(DOS(name='DOS',parameters={'afm':0.20},BZ=KSpace(reciprocals=lattice.reciprocals,nk=20),mu=U/2,emin=-10,emax=10,ne=400,eta=0.05,savedata=False,run=VCA.VCADOS))
vca.register(FS(name='FS',parameters={'afm':0.20},mu=U/2,BZ=square_bz(nk=100),savedata=False,run=VCA.VCAFS))
vca.register(VCA.OP(name='OP',parameters={'afm':0.20},mu=U/2,terms=vca.weiss,BZ=square_bz(reciprocals=lattice.reciprocals,nk=100),run=VCA.VCAOP))
vca.register(VCA.DTBT(name='DTBT',parameters={'afm':0.20},path=square_gxm(nk=100),mu=U/2,savedata=False,run=VCA.VCADTBT))
vca.register(VCA.CPFF(name='FF',task='FF',parameters={'afm':0.20},cf=U/2,BZ=KSpace(reciprocals=lattice.reciprocals,nk=100),run=VCA.VCACPFF))
#vca.register(VCA.CPFF(name='CP',task='CP',cf=0.5,BZ=KSpace(reciprocals=lattice.reciprocals,nk=100),options={'x0':1.0,'x_tol':10**-6,'maxiter':20},run=VCA.VCACPFF))
vca.summary()
def vcatasks(name,
parameters,
basis,
cell,
lattice,
terms,
weiss,
baths=(),
jobs=()):
import HamiltonianPy.VCA as VCA
vca = vcaconstruct(name, parameters, [basis], cell, lattice, terms, weiss)
if 'EB' in jobs:
vca.register(
VCA.EB(name='EB',
path=hexagon_gkm(reciprocals=cell.reciprocals, nk=100),
mu=parameters['U'] / 2,
emin=-5.0,
emax=5.0,
eta=0.05,
ne=401,
run=VCA.VCAEB))
if 'TEB' in jobs:
vca.register(
VCA.EB(name='TEB',
path=hexagon_gkm(reciprocals=cell.reciprocals, nk=100),
mu=parameters['U'] / 2,
run=VCA.VCATEB))
if 'CN' in jobs:
vca.register(
BC(name='CN',
BZ=KSpace(reciprocals=cell.reciprocals, nk=100),
mu=parameters['U'] / 2,
savedata=False,
plot=False,
run=VCA.VCABC))
if 'GPM' in jobs:
vca.add(
GP(name='GP',
mu=parameters['U'] / 2,
BZ=KSpace(reciprocals=lattice.reciprocals, nk=100),
run=VCA.VCAGP))
vca.register(
VCA.GPM(name='afm',
BS=BaseSpace(('afm', np.linspace(0.0, 0.1, 11))),
dependences=['GP'],
run=VCA.VCAGPM))
vca.summary()
def vcatasks(parameters, basis, cell, lattice, job='EB'):
import HamiltonianPy.VCA as VCA
vca = vcaconstruct(parameters, basis, cell, lattice, [t1, t2, U], [afm])
if job == 'EB':
vca.register(
VCA.EB(name='EB',
path=hexagon_gkm(nk=100),
mu=parameters[2] / 2,
emin=-5.0,
emax=5.0,
eta=0.05,
ne=401,
run=VCA.VCAEB))
if job == 'GPM':
gp = GP(name='GP',
mu=parameters[2] / 2,
BZ=KSpace(reciprocals=lattice.reciprocals, nk=100),
run=VCA.VCAGP)
vca.register(
VCA.GPM(name='afm',
BS=BaseSpace(('afm', np.linspace(0.0, 0.1, 11))),
dependences=[gp],
run=VCA.VCAGPM))
vca.summary()
def vcaconstruct(parameters,basis,cell,lattice,terms,weiss,mask=['nambu'],**karg):
config=IDFConfig(priority=DEFAULT_FERMIONIC_PRIORITY,pids=lattice.pids,map=idfmap)
# edit the value of nstep if needed
cgf=ED.FGF(operators=fspoperators(config.table(),lattice),nstep=150,prepare=ED.EDGFP,run=ED.EDGF)
vca=VCA.VCA(
dlog= 'log/vca',
din= 'data/vca',
dout= 'result/vca',
log= '%s_%s_%s_%s_VCA.log'%(name,lattice.name,basis.rep,parameters),
cgf= cgf,
name= '%s_%s_%s'%(name,lattice.name,basis.rep),
basis= basis,
cell= cell,
lattice= lattice,
config= config,
terms= [term(*parameters) for term in terms],
weiss= [term(*parameters) for term in weiss],
mask= mask,
dtype= np.complex128
)
return vca