LCPQ/dft_tools
3
0
Fork 0
mirror of https://github.com/triqs/dft_tools synced 2024-12-22 04:13:47 +01:00
Code Issues Releases Wiki Activity

Small changes in spaghetti

Browse Source
This commit is contained in:
Leonid Pourovskii 2014-01-22 22:57:18 +01:00
parent 8b18315408
commit b87ab06061
1 changed files with 5 additions and 5 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

10
python/sumk_lda_tools.py
View File

@ -389,7 +389,7 @@ class SumkLDATools(SumkLDA):
bln = self.block_names[self.SO] bln = self.block_names[self.SO]
# init DOS: # init DOS:
M = [x for x in self.Sigma_imp[0].mesh] M = [x.real for x in self.Sigma_imp[0].mesh]
n_om = len(M) n_om = len(M)
if plot_range is None: if plot_range is None:
@ -423,7 +423,7 @@ class SumkLDATools(SumkLDA):
if (ishell is None): if (ishell is None):
# non-projected A(k,w) # non-projected A(k,w)
for iom in range(n_om): for iom in range(n_om):
if (M[iom].real>om_minplot) and (M[iom].real<om_maxplot): if (M[iom]>om_minplot) and (M[iom]<om_maxplot):
if fermi_surface: if fermi_surface:
for sig,gf in S: Akw[sig][ik,0] += gf.data[iom,:,:].imag.trace()/(-3.1415926535) * (M[1]-M[0]) for sig,gf in S: Akw[sig][ik,0] += gf.data[iom,:,:].imag.trace()/(-3.1415926535) * (M[1]-M[0])
else: else:
@ -445,7 +445,7 @@ class SumkLDATools(SumkLDA):
# for sig,gf in Gproj: Gproj[sig] <<= self.rotloc(0,gf,direction='toLocal') # for sig,gf in Gproj: Gproj[sig] <<= self.rotloc(0,gf,direction='toLocal')
for iom in range(n_om): for iom in range(n_om):
if (M[iom].real>om_minplot) and (M[iom].real<om_maxplot): if (M[iom]>om_minplot) and (M[iom]<om_maxplot):
for ish in range(self.shells[ishell][3]): for ish in range(self.shells[ishell][3]):
for ibn in bln: for ibn in bln:
Akw[ibn][ish,ik,iom] = Gproj[ibn].data[iom,ish,ish].imag/(-3.1415926535) Akw[ibn][ish,ik,iom] = Gproj[ibn].data[iom,ish,ish].imag/(-3.1415926535)
@ -476,7 +476,7 @@ class SumkLDATools(SumkLDA):
f.write('%s %s\n'%(ik,Akw[ibn][ik,0])) f.write('%s %s\n'%(ik,Akw[ibn][ik,0]))
else: else:
for iom in range(n_om): for iom in range(n_om):
if (M[iom].real>om_minplot) and (M[iom].real<om_maxplot): if (M[iom]>om_minplot) and (M[iom]<om_maxplot):
if (invert_Akw): if (invert_Akw):
Akw[ibn][ik,iom] = 1.0/(minAkw-maxAkw)*(Akw[ibn][ik,iom] - maxAkw) Akw[ibn][ik,iom] = 1.0/(minAkw-maxAkw)*(Akw[ibn][ik,iom] - maxAkw)
if (shift>0.0001): if (shift>0.0001):
@ -500,7 +500,7 @@ class SumkLDATools(SumkLDA):
for ik in range(self.n_k): for ik in range(self.n_k):
for iom in range(n_om): for iom in range(n_om):
if (M[iom].real>om_minplot) and (M[iom].real<om_maxplot): if (M[iom]>om_minplot) and (M[iom]<om_maxplot):
if (invert_Akw): if (invert_Akw):
Akw[ibn][ish,ik,iom] = 1.0/(minAkw-maxAkw)*(Akw[ibn][ish,ik,iom] - maxAkw) Akw[ibn][ish,ik,iom] = 1.0/(minAkw-maxAkw)*(Akw[ibn][ish,ik,iom] - maxAkw)
if (shift>0.0001): if (shift>0.0001):