l-projected spectral function in LDA+DMFT (CTQMC)

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ramsamojkewat
Posts: 1
Joined: Fri Nov 15, 2019 5:32 am

l-projected spectral function in LDA+DMFT (CTQMC)

Post by ramsamojkewat » Sat Nov 16, 2019 7:45 am

Dear all,
I am a Ph.D. student, doing research in computation condensed matter physics at the Indian Institute of Science Education and Research Bhopal India. I am a new member of this forum. Thanks to making such a forum for discussion.
I am a new user of Abinit for LDA+DMFT Calculation. I'm calculating the spectral function of SrVO using CTQMC. I got the following output files,
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D.dat , srvodmfto_DS2_atom_01_Gtau_07.dat srvodmfto_DS2_atom_01_Gw_15.dat
figs_ind.dat , srvodmfto_DS2_atom_01_Gtau_08.dat srvodmfto_DS2_atom_01_Gw_16.dat
forlb.eig , srvodmfto_DS2_atom_01_Gtau_09.dat srvodmfto_DS2_atom_01_Gw_17.dat
forlb.ovlp , srvodmfto_DS2_atom_01_Gtau_10.dat srvodmfto_DS2_atom_01_Gw_18.dat
Fourier_transformed_data, srvodmfto_DS2_atom_01_Gtau_11.dat srvodmfto_DS2_atom_01_Gw_19.dat
Gtau.dat, srvodmfto_DS2_atom_01_Gtau_12.dat srvodmfto_DS2_atom_01_Gw_20.dat
job, srvodmfto_DS2_atom_01_Gtau_13.dat srvodmfto_DS2_atom_01_Gw_21.dat
job.out , srvodmfto_DS2_atom_01_Gtau_14.dat srvodmfto_DS2_atom_01_Gw_22.dat
OmegaMaxEnt_figs_0.py , srvodmfto_DS2_atom_01_Gtau_15.dat srvodmfto_DS2_atom_01_Gw_23.dat
OmegaMaxEnt_figs_data , srvodmfto_DS2_atom_01_Gtau_16.dat srvodmfto_DS2_atom_01_Gw_24.dat
OmegaMaxEnt_files , srvodmfto_DS2_atom_01_Gtau_17.dat srvodmfto_DS2_atom_01_Gw_25.dat
OmegaMaxEnt_final_result , srvodmfto_DS2_atom_01_Gtau_18.dat srvodmfto_DS2_atom_01_Gw_26.dat
OmegaMaxEnt_input_params.dat, srvodmfto_DS2_atom_01_Gtau_19.dat srvodmfto_DS2_atom_01_Gw_27.dat
OmegaMaxEnt_other_params.dat , srvodmfto_DS2_atom_01_Gtau_20.dat srvodmfto_DS2_atom_01_Gw_28.dat
output , srvodmfto_DS2_atom_01_Gtau_21.dat srvodmfto_DS2_atom_01_Gw_29.dat
Perturbation.dat , srvodmfto_DS2_atom_01_Gtau_22.dat srvodmfto_DS2_atom_01_Gw_30.dat
srvodmft.files , srvodmfto_DS2_atom_01_Gtau_23.dat srvodmfto_DS2_DDB
srvodmft.in , srvodmfto_DS2_atom_01_Gtau_24.dat srvodmfto_DS2_DEN
srvodmfto_DS1_DDB , srvodmfto_DS2_atom_01_Gtau_25.dat srvodmfto_DS2_DMFTOCCND
srvodmfto_DS1_DEN , srvodmfto_DS2_atom_01_Gtau_26.dat srvodmfto_DS2_DOS_AT0001
srvodmfto_DS1_DOS_AT0001, srvodmfto_DS2_atom_01_Gtau_27.dat , srvodmfto_DS2_DOS_AT0002
srvodmfto_DS1_DOS_AT0002 , srvodmfto_DS2_atom_01_Gtau_28.dat, srvodmfto_DS2_DOS_AT0003
srvodmfto_DS1_DOS_AT0003 , srvodmfto_DS2_atom_01_Gtau_29.dat, srvodmfto_DS2_DOS_AT0004
srvodmfto_DS1_DOS_AT0004 , srvodmfto_DS2_atom_01_Gtau_30.dat, srvodmfto_DS2_DOS_AT0005
srvodmfto_DS1_DOS_AT0005 , srvodmfto_DS2_atom_01_Gw_01.dat , srvodmfto_DS2_DOS_TOTAL
srvodmfto_DS1_DOS_TOTAL , srvodmfto_DS2_atom_01_Gw_02.dat , srvodmfto_DS2_EBANDS.agr
srvodmfto_DS1_EBANDS.agr , srvodmfto_DS2_atom_01_Gw_03.dat , srvodmfto_DS2_EIG
srvodmfto_DS1_EIG , srvodmfto_DS2_atom_01_Gw_04.dat , srvodmfto_DS2_EIG.nc
srvodmfto_DS1_EIG.nc , srvodmfto_DS2_atom_01_Gw_05.dat , srvodmfto_DS2_FATBANDS.nc
srvodmfto_DS1_FATBANDS.nc, srvodmfto_DS2_atom_01_Gw_06.dat , srvodmfto_DS2_GSR.nc
srvodmfto_DS1_GSR.nc, srvodmfto_DS2_atom_01_Gw_07.dat , srvodmfto_DS2Self-omega_iatom0001_isppol1
srvodmfto_DS1_WFK , srvodmfto_DS2_atom_01_Gw_08.dat , srvodmfto_DS2_WFK
srvodmfto_DS2_atom_01_Gtau_01.dat, srvodmfto_DS2_atom_01_Gw_09.dat , srvodmfto_OUT.nc
srvodmfto_DS2_atom_01_Gtau_02.dat, srvodmfto_DS2_atom_01_Gw_10.dat , srvodmft.out
srvodmfto_DS2_atom_01_Gtau_03.dat , srvodmfto_DS2_atom_01_Gw_11.dat , surf_figs_ind.dat
srvodmfto_DS2_atom_01_Gtau_04.dat, srvodmfto_DS2_atom_01_Gw_12.dat , warnings.txt
srvodmfto_DS2_atom_01_Gtau_05.dat , srvodmfto_DS2_atom_01_Gw_13.dat
srvodmfto_DS2_atom_01_Gtau_06.dat , srvodmfto_DS2_atom_01_Gw_14.dat
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I use OmegaMaxEnt code for analytic continuation for the spectral fuction. I have calculated total spectral functin from the file Gtau.dat, I am not confident that I have done correct calculation! but unable to calculate l-projected spectral fuction for the atom 'V' and 'O' i.e spectral function for l=2 for 'V' and l=1 for oxygen seperately. Please someone help me to do the calculation.

fngassam
Posts: 4
Joined: Sun Aug 16, 2020 7:25 am

Re: l-projected spectral function in LDA+DMFT (CTQMC)

Post by fngassam » Tue Sep 22, 2020 2:36 pm

HELLO,
HAVE YOU FOUND A SOLUTION TO YOUR PROBLEM?

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