Preview

eph_to_HZDR.zip

eph_to_HZDR
- Au
  - Au_Ge-Te_Lin.dat 28.6 kB
  - Au_Ge-Te_NRL.dat 2.1 kB
  - G_Brown.csv 2.0 kB
  - G_Li.csv 2.2 kB
  - G_Migdal.csv 1.4 kB
  - G_Petrov_0.6.csv 2.0 kB
  - G_Petrov_cor.csv 1.8 kB
  - G_Smirnov.csv 1.9 kB
  - PHBST_GL.csv 761 Bytes
  - PHBST_GXWX.csv 1.7 kB
  - PHBST_KG.csv 1.3 kB
  - PHBST_XK.csv 449 Bytes
  - edos
    - 10000
      - outdata
        
        out_DOS 435.7 kB
    - 12500
      - outdata
        
        out_DOS 435.7 kB
    - 15000
      - outdata
        
        out_DOS 435.7 kB
    - 17500
      - outdata
        
        out_DOS 435.7 kB
    - 20000
      - outdata
        
        out_DOS 435.7 kB
    - 2500
      - outdata
        
        out_DOS 435.7 kB
    - 300
      - outdata
        
        out_DOS 435.7 kB
    - 5000
      - outdata
        
        out_DOS 435.7 kB
    - 7500
      - outdata
        
        out_DOS 435.7 kB
    - Au.psp8 256.7 kB
    - make_wflow.py 2.6 kB
    - submit-array.sh 507 Bytes
  - eph
    - 300K
      - out_A2F.nc 16.0 MB
      - out_A2FW 17.0 kB
      - out_EBANDS.agr 4.7 MB
      - out_EDOS 1.6 MB
      - out_NOINTP_A2FW 17.0 kB
      - out_NOINTP_PH_A2FW 67.0 kB
      - out_OUT.nc 27.3 kB
      - out_PHBANDS.agr 13.8 kB
      - out_PHBST.nc 10.1 MB
      - out_PHDOS.nc 10.1 MB
      - out_PHGAMMA 21.5 kB
      - out_PH_A2FW 67.0 kB
    - 300K_eew
      - out_A2F.nc 14.5 MB
      - out_A2FW 17.0 kB
      - out_A2FW_reference 9.6 kB
      - out_EBANDS.agr 4.7 MB
      - out_EDOS 1.6 MB
      - out_NOINTP_A2FEEW 174.3 MB
      - out_NOINTP_A2FW 17.0 kB
      - out_NOINTP_A2FW_reference 9.6 kB
      - out_NOINTP_PH_A2FW 67.0 kB
      - out_OUT.nc 28.3 kB
      - out_PHBANDS.agr 22.3 kB
      - out_PHBST.nc 10.1 MB
      - out_PHDOS.nc 10.1 MB
      - out_PHGAMMA 34.9 kB
      - out_PH_A2FW 67.0 kB
    - 300K_eew_fine
      - out_A2F.nc 14.5 MB
      - out_A2FW 17.0 kB
      - out_EDOS 1.6 MB
      - out_NOINTP_A2FEEW 697.2 MB
      - out_NOINTP_A2FW 17.0 kB
      - out_NOINTP_A2FW_reference 9.6 kB
      - out_NOINTP_PH_A2FW 67.0 kB
      - out_OUT.nc 28.3 kB
      - out_PHBST.nc 10.1 MB
      - out_PHDOS.nc 10.1 MB
      - out_PHGAMMA 34.9 kB
    - Au.psp8 256.7 kB
    - eph_te_flow.py 6.6 kB
    - run_eph.sh 791 Bytes
    - run_mrg.sh 847 Bytes
    - run_ph.sh 514 Bytes
    - run_scf_nscf.sh 629 Bytes
  - eph.py 12.5 kB
  - phdos_exp.csv 4.3 kB
  - readme.md 1.7 kB
  - tools.py 2.4 kB
- Pd
  - Li.csv 1.2 kB
  - Pd_Ge-Te.dat 2.1 kB
  - edos
    - 1000
      - outdata
        
        out_DOS 306.5 kB
    - 10000
      - outdata
        
        out_DOS 306.5 kB
    - 11000
      - outdata
        
        out_DOS 306.5 kB
    - 12000
      - outdata
        
        out_DOS 306.5 kB
    - 13000
      - outdata
        
        out_DOS 306.5 kB
    - 14000
      - outdata
        
        out_DOS 306.5 kB
    - 15000
      - outdata
        
        out_DOS 306.5 kB
    - 16000
      - outdata
        
        out_DOS 306.5 kB
    - 17000
      - outdata
        
        out_DOS 306.5 kB
    - 18000
      - outdata
        
        out_DOS 306.5 kB
    - 19000
      - outdata
        
        out_DOS 306.5 kB
    - 2000
      - outdata
        
        out_DOS 306.5 kB
    - 20000
      - outdata
        
        out_DOS 306.5 kB
    - 300
      - outdata
        
        out_DOS 306.5 kB
    - 3000
      - outdata
        
        out_DOS 306.5 kB
    - 4000
      - outdata
        
        out_DOS 306.5 kB
    - 5000
      - outdata
        
        out_DOS 306.5 kB
    - 6000
      - outdata
        
        out_DOS 306.5 kB
    - 7000
      - outdata
        
        out_DOS 306.5 kB
    - 8000
      - outdata
        
        out_DOS 306.5 kB
    - 9000
      - outdata
        
        out_DOS 306.5 kB
    - Pd_PBE.psp8 280.1 kB
    - make_wflow.py 2.6 kB
    - submit-array.sh 507 Bytes
  - eph
    - 300K
      - out_A2F.nc 12.7 MB
      - out_A2FW 26.0 kB
      - out_EBANDS.agr 2.5 MB
      - out_EDOS 1.1 MB
      - out_NOINTP_A2FW 26.0 kB
      - out_NOINTP_PH_A2FW 102.7 kB
      - out_OUT.nc 27.4 kB
      - out_PHBANDS.agr 28.4 kB
      - out_PHBST.nc 10.1 MB
      - out_PHDOS.nc 10.1 MB
      - out_PHGAMMA 44.5 kB
      - out_PH_A2FW 102.7 kB
      - run.abi 2.5 kB
      - run.files 345 Bytes
    - 300K_eew
      - out_A2F.nc 12.6 MB
      - out_A2FW 27.8 kB
      - out_EBANDS.agr 2.5 MB
      - out_EDOS 1.1 MB
      - out_NOINTP_A2FEEW 287.2 MB
      - out_NOINTP_A2FW 27.8 kB
      - out_NOINTP_A2FW_reference 15.5 kB
      - out_NOINTP_PH_A2FW 109.9 kB
      - out_OUT.nc 28.3 kB
      - out_PHBANDS.agr 22.3 kB
      - out_PHBST.nc 10.1 MB
      - out_PHDOS.nc 10.1 MB
      - out_PHGAMMA 34.9 kB
      - out_PH_A2FW 109.9 kB
      - run.abi 2.5 kB
      - run.abo 57.6 kB
      - run.log 165.6 kB
    - 300K_eew_fine
      - out_A2F.nc 12.6 MB
      - out_A2FW 27.8 kB
      - out_A2FW_reference 15.5 kB
      - out_EDOS 1.1 MB
      - out_NOINTP_A2FEEW 1.1 GB
      - out_NOINTP_A2FW 27.8 kB
      - out_NOINTP_A2FW_reference 15.5 kB
      - out_NOINTP_PH_A2FW 109.9 kB
      - out_OUT.nc 28.3 kB
      - out_PHBST.nc 10.1 MB
      - out_PHDOS.nc 10.1 MB
      - out_PHGAMMA 34.9 kB
      - out_PH_A2FW 109.9 kB
    - Pd_PBE.psp8 280.1 kB
    - Pd_te_flow.py 6.4 kB
    - run_eph.sh 791 Bytes
    - run_mrg.sh 847 Bytes
    - run_ph.sh 514 Bytes
    - run_scf_nscf.sh 629 Bytes
  - eph.py 13.5 kB
  - exp_120K_GL.csv 576 Bytes
  - exp_120K_GX.csv 754 Bytes
  - exp_120K_UG.csv 987 Bytes
  - exp_120K_XU.csv 340 Bytes
  - exp_phDOS.csv 3.3 kB
  - readme.md 1.4 kB
  - tools.py 2.0 kB
- Ru
  - Ru-G_NRL.dat 5.2 kB
  - coupling_Petrov.csv 613 Bytes
  - e_dos
    - gauss
      - 10000
        
        outdata
        
        out_DOS 325.7 kB
      - 12500
        
        outdata
        
        out_DOS 338.7 kB
      - 15000
        
        outdata
        
        out_DOS 351.7 kB
      - 17500
        
        outdata
        
        out_DOS 364.7 kB
      - 20000
        
        outdata
        
        out_DOS 384.2 kB
      - 2500
        
        outdata
        
        out_DOS 273.7 kB
      - 300
        
        outdata
        
        out_DOS 260.7 kB
      - 5000
        
        outdata
        
        out_DOS 293.2 kB
      - 7500
        
        outdata
        
        out_DOS 306.2 kB
      - Ru_NC.psp8 280.1 kB
      - make_wflow.py 2.4 kB
      - submit-array.sh 507 Bytes
    - tetra
      - 10000
        
        outdata
        
        out_DOS 272.5 kB
      - 15000
        
        outdata
        
        out_DOS 272.5 kB
      - 20000
        
        outdata
        
        out_DOS 272.5 kB
      - 25000
        
        outdata
        
        out_DOS 272.5 kB
      - 300
        
        outdata
        
        out_DOS 272.5 kB
      - 30000
        
        outdata
        
        out_DOS 272.5 kB
      - 35000
        
        outdata
        
        out_DOS 272.5 kB
      - 40000
        
        outdata
        
        out_DOS 272.5 kB
      - 45000
        
        outdata
        
        out_DOS 272.5 kB
      - 5000
        
        outdata
        
        out_DOS 272.5 kB
      - 50000
        
        outdata
        
        out_DOS 272.5 kB
      - Ru_NC.psp8 280.1 kB
      - make_wflow.py 2.3 kB
      - submit-array.sh 507 Bytes
  - eph
    - Ru_NC.psp8 280.1 kB
    - Ru_te_flow.py 6.5 kB
    - eph_a2fw
      - 300K
        
        out_A2F.nc 19.0 MB
        
        out_A2FW 27.1 kB
        
        out_EBANDS.agr 9.3 MB
        
        out_EDOS 994.4 kB
        
        out_NOINTP_A2FW 27.1 kB
        
        out_NOINTP_PH_A2FW 187.7 kB
        
        out_OUT.nc 25.7 kB
        
        out_PHBANDS.agr 38.4 kB
        
        out_PHBST.nc 10.2 MB
        
        out_PHDOS.nc 10.1 MB
        
        out_PHGAMMA 76.6 kB
        
        out_PH_A2FW 187.7 kB
    - eph_out
      - 300K
        
        in_DDB 3.5 MB
        
        out_A2F.nc 17.7 MB
        
        out_A2FEEW 280.5 MB
        
        out_A2FW 27.1 kB
        
        out_A2FW_reference 15.1 kB
        
        out_EBANDS.agr 9.3 MB
        
        out_EDOS 994.4 kB
        
        out_NOINTP_A2FEEW 729.2 MB
        
        out_NOINTP_A2FW 27.1 kB
        
        out_NOINTP_A2FW_reference 60.0 kB
        
        out_NOINTP_PH_A2FW 187.7 kB
        
        out_OUT.nc 25.9 kB
        
        out_PHBANDS.agr 28.0 kB
        
        out_PHBST.nc 10.1 MB
        
        out_PHDOS.nc 10.1 MB
        
        out_PHGAMMA 55.9 kB
        
        out_PH_A2FW 187.7 kB
      - 300K_fine
        
        out_A2F.nc 17.7 MB
        
        out_A2FW_reference 15.1 kB
        
        out_EDOS 994.4 kB
        
        out_NOINTP_A2FEEW 1.1 GB
        
        out_NOINTP_A2FW 27.1 kB
        
        out_NOINTP_A2FW_reference 15.1 kB
        
        out_NOINTP_PH_A2FW 187.7 kB
        
        out_OUT.nc 26.4 kB
        
        out_PHBST.nc 10.2 MB
        
        out_PHDOS.nc 10.1 MB
        
        out_PHGAMMA 76.6 kB
    - run_eph.sh 791 Bytes
    - run_mrg.sh 847 Bytes
    - run_ph.sh 514 Bytes
    - run_scf_nscf.sh 629 Bytes
  - eph.py 12.2 kB
  - exp_phonon_bands.csv 8.6 kB
  - ph_dos.csv 5.9 kB
  - readme.md 1.6 kB
  - tools.py 2.0 kB