343 lines
17 KiB
Plaintext
343 lines
17 KiB
Plaintext
@comment $NetBSD: PLIST,v 1.2 2013/06/22 13:20:19 outpaddling Exp $
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openmpi/bin/DosMain
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openmpi/bin/OpticalConductivityMain
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openmpi/bin/TranMain
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openmpi/bin/TranMain_NC
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openmpi/bin/analysis_example
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openmpi/bin/esp
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openmpi/bin/jx
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openmpi/bin/openmx
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openmpi/bin/polB
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openmpi/bin/test_mpi
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openmpi/share/openmx/work/Al-Si111_ESM.dat
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openmpi/share/openmx/work/C2H4_NEB.dat
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openmpi/share/openmx/work/C60.dat
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openmpi/share/openmx/work/C60_DC.dat
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openmpi/share/openmx/work/C60_LO.dat
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openmpi/share/openmx/work/CG15c_DC.dat
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openmpi/share/openmx/work/Cafcc_FS.dat
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openmpi/share/openmx/work/Cdia.dat
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openmpi/share/openmx/work/CoO_NC.dat
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openmpi/share/openmx/work/Cr2_CNC.dat
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openmpi/share/openmx/work/Crys-NiO.dat
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openmpi/share/openmx/work/DIA216_DC.dat
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openmpi/share/openmx/work/DIA512-1.dat
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openmpi/share/openmx/work/DIA512_DC.dat
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openmpi/share/openmx/work/DIA64_Band.dat
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openmpi/share/openmx/work/DIA64_DC.dat
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openmpi/share/openmx/work/DIA8-VA.dat
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openmpi/share/openmx/work/DIA8_DC.dat
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openmpi/share/openmx/work/Doped_NT.dat
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openmpi/share/openmx/work/Fe2.dat
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openmpi/share/openmx/work/FeO+U.dat
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openmpi/share/openmx/work/FeO_NC.dat
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openmpi/share/openmx/work/Febcc2.dat
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openmpi/share/openmx/work/GaAs.dat
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openmpi/share/openmx/work/Gly_NH.dat
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openmpi/share/openmx/work/Gly_VS.dat
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openmpi/share/openmx/work/Graphite_STM.dat
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openmpi/share/openmx/work/H2O.dat
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openmpi/share/openmx/work/MCCN.dat
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openmpi/share/openmx/work/Methane.dat
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openmpi/share/openmx/work/Methane2.dat
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openmpi/share/openmx/work/Methane_OO.dat
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openmpi/share/openmx/work/Mn12.dat
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openmpi/share/openmx/work/MnO_NC.dat
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openmpi/share/openmx/work/Mnfcc-EvsLC.dat
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openmpi/share/openmx/work/Mol_MnO_NC.dat
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openmpi/share/openmx/work/NaCl.dat
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openmpi/share/openmx/work/NaCl_FC.dat
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openmpi/share/openmx/work/NiO_NC.dat
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openmpi/share/openmx/work/Nitro_Benzene.dat
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openmpi/share/openmx/work/Pt13.dat
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openmpi/share/openmx/work/Pt63.dat
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openmpi/share/openmx/work/Si8.dat
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openmpi/share/openmx/work/Si8_NEB.dat
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openmpi/share/openmx/work/SialicAcid.dat
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openmpi/share/openmx/work/Valorphin_DC.dat
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openmpi/share/openmx/work/force_example/C2_GGA.dat
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openmpi/share/openmx/work/force_example/C2_LDA.dat
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openmpi/share/openmx/work/force_example/CH3F_GGA.dat
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openmpi/share/openmx/work/force_example/CH3F_LDA.dat
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openmpi/share/openmx/work/force_example/CH_GGA.dat
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openmpi/share/openmx/work/force_example/CH_LDA+U.dat
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openmpi/share/openmx/work/force_example/CH_LSDA.dat
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openmpi/share/openmx/work/force_example/CH_NC.dat
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openmpi/share/openmx/work/force_example/Cdia_GGA.dat
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openmpi/share/openmx/work/force_example/Cdia_LDA.dat
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openmpi/share/openmx/work/force_example/Cr2.dat
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openmpi/share/openmx/work/force_example/Crys-MnO_GGA.dat
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openmpi/share/openmx/work/force_example/Crys-MnO_LSDA.dat
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openmpi/share/openmx/work/force_example/F2_GGA.dat
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openmpi/share/openmx/work/force_example/F2_LDA.dat
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openmpi/share/openmx/work/force_example/Fe2_GGA.dat
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openmpi/share/openmx/work/force_example/Fe2_LSDA.dat
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openmpi/share/openmx/work/force_example/FeCrH_GGA.dat
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openmpi/share/openmx/work/force_example/FeCrH_LSDA.dat
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openmpi/share/openmx/work/force_example/GaAs+05.dat
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openmpi/share/openmx/work/force_example/GaAs_GGA.dat
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openmpi/share/openmx/work/force_example/GaAs_LDA.dat
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openmpi/share/openmx/work/force_example/GaAs_NC_SO+U.dat
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openmpi/share/openmx/work/force_example/GaAs_NC_SO.dat
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openmpi/share/openmx/work/force_example/H2_GGA.dat
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openmpi/share/openmx/work/force_example/H2_LDA.dat
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openmpi/share/openmx/work/force_example/HHdia_GGA.dat
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openmpi/share/openmx/work/force_example/HHdia_LDA.dat
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openmpi/share/openmx/work/force_example/Hdia_GGA.dat
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openmpi/share/openmx/work/force_example/Hdia_LDA.dat
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openmpi/share/openmx/work/force_example/Methane+EF.dat
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openmpi/share/openmx/work/force_example/Methane-1.dat
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openmpi/share/openmx/work/force_example/Methane_GGA.dat
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openmpi/share/openmx/work/force_example/Methane_LDA.dat
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openmpi/share/openmx/work/force_example/Mn2O_LDA+U.dat
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openmpi/share/openmx/work/force_example/MnO_LDA+U.dat
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openmpi/share/openmx/work/force_example/forcetest.result
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openmpi/share/openmx/work/geoopt_example/B2C62_BFGS.dat
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openmpi/share/openmx/work/geoopt_example/B2C62_BFGS.out
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openmpi/share/openmx/work/geoopt_example/B2C62_DIIS.dat
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openmpi/share/openmx/work/geoopt_example/B2C62_DIIS.out
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openmpi/share/openmx/work/geoopt_example/B2C62_EF.dat
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openmpi/share/openmx/work/geoopt_example/B2C62_EF.out
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openmpi/share/openmx/work/geoopt_example/B2C62_RF.dat
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openmpi/share/openmx/work/geoopt_example/B2C62_RF.out
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openmpi/share/openmx/work/geoopt_example/C16_BFGS.dat
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openmpi/share/openmx/work/geoopt_example/C16_BFGS.out
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openmpi/share/openmx/work/geoopt_example/C16_DIIS.dat
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openmpi/share/openmx/work/geoopt_example/C16_DIIS.out
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openmpi/share/openmx/work/geoopt_example/C16_EF.dat
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openmpi/share/openmx/work/geoopt_example/C16_EF.out
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openmpi/share/openmx/work/geoopt_example/C16_RF.dat
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openmpi/share/openmx/work/geoopt_example/C16_RF.out
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openmpi/share/openmx/work/geoopt_example/C60_BFGS.dat
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openmpi/share/openmx/work/geoopt_example/C60_BFGS.out
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openmpi/share/openmx/work/geoopt_example/C60_DIIS.dat
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openmpi/share/openmx/work/geoopt_example/C60_DIIS.out
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openmpi/share/openmx/work/geoopt_example/C60_EF.dat
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openmpi/share/openmx/work/geoopt_example/C60_EF.out
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openmpi/share/openmx/work/geoopt_example/C60_RF.dat
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openmpi/share/openmx/work/geoopt_example/C60_RF.out
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openmpi/share/openmx/work/geoopt_example/Glycine_BFGS.dat
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openmpi/share/openmx/work/geoopt_example/Glycine_BFGS.out
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openmpi/share/openmx/work/geoopt_example/Glycine_DIIS.dat
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openmpi/share/openmx/work/geoopt_example/Glycine_DIIS.out
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openmpi/share/openmx/work/geoopt_example/Glycine_EF.dat
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openmpi/share/openmx/work/geoopt_example/Glycine_EF.out
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openmpi/share/openmx/work/geoopt_example/Glycine_RF.dat
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openmpi/share/openmx/work/geoopt_example/Glycine_RF.out
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openmpi/share/openmx/work/geoopt_example/Methane_BFGS.dat
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openmpi/share/openmx/work/geoopt_example/Methane_BFGS.out
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openmpi/share/openmx/work/geoopt_example/Methane_DIIS.dat
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openmpi/share/openmx/work/geoopt_example/Methane_DIIS.out
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openmpi/share/openmx/work/geoopt_example/Methane_EF.dat
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openmpi/share/openmx/work/geoopt_example/Methane_EF.out
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openmpi/share/openmx/work/geoopt_example/Methane_RF.dat
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openmpi/share/openmx/work/geoopt_example/Methane_RF.out
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openmpi/share/openmx/work/geoopt_example/NBen_BFGS.dat
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openmpi/share/openmx/work/geoopt_example/NBen_BFGS.out
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openmpi/share/openmx/work/geoopt_example/NBen_DIIS.dat
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openmpi/share/openmx/work/geoopt_example/NBen_DIIS.out
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openmpi/share/openmx/work/geoopt_example/NBen_EF.dat
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openmpi/share/openmx/work/geoopt_example/NBen_EF.out
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openmpi/share/openmx/work/geoopt_example/NBen_RF.dat
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openmpi/share/openmx/work/geoopt_example/NBen_RF.out
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openmpi/share/openmx/work/geoopt_example/NaCl_BFGS.dat
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openmpi/share/openmx/work/geoopt_example/NaCl_BFGS.out
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openmpi/share/openmx/work/geoopt_example/NaCl_DIIS.dat
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openmpi/share/openmx/work/geoopt_example/NaCl_DIIS.out
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openmpi/share/openmx/work/geoopt_example/NaCl_EF.dat
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openmpi/share/openmx/work/geoopt_example/NaCl_EF.out
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openmpi/share/openmx/work/geoopt_example/NaCl_RF.dat
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openmpi/share/openmx/work/geoopt_example/NaCl_RF.out
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openmpi/share/openmx/work/geoopt_example/Si7C_BFGS.dat
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openmpi/share/openmx/work/geoopt_example/Si7C_BFGS.out
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openmpi/share/openmx/work/geoopt_example/Si7C_DIIS.dat
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openmpi/share/openmx/work/geoopt_example/Si7C_DIIS.out
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openmpi/share/openmx/work/geoopt_example/Si7C_EF.dat
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openmpi/share/openmx/work/geoopt_example/Si7C_EF.out
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openmpi/share/openmx/work/geoopt_example/Si7C_RF.dat
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openmpi/share/openmx/work/geoopt_example/Si7C_RF.out
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openmpi/share/openmx/work/geoopt_example/SialicAcid_BFGS.dat
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openmpi/share/openmx/work/geoopt_example/SialicAcid_BFGS.out
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openmpi/share/openmx/work/geoopt_example/SialicAcid_DIIS.dat
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openmpi/share/openmx/work/geoopt_example/SialicAcid_DIIS.out
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openmpi/share/openmx/work/geoopt_example/SialicAcid_EF.dat
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openmpi/share/openmx/work/geoopt_example/SialicAcid_EF.out
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openmpi/share/openmx/work/geoopt_example/SialicAcid_RF.dat
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openmpi/share/openmx/work/geoopt_example/SialicAcid_RF.out
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openmpi/share/openmx/work/geoopt_example/TiO2_BFGS.dat
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openmpi/share/openmx/work/geoopt_example/TiO2_BFGS.out
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openmpi/share/openmx/work/geoopt_example/TiO2_DIIS.dat
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openmpi/share/openmx/work/geoopt_example/TiO2_DIIS.out
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openmpi/share/openmx/work/geoopt_example/TiO2_EF.dat
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openmpi/share/openmx/work/geoopt_example/TiO2_EF.out
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openmpi/share/openmx/work/geoopt_example/TiO2_RF.dat
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openmpi/share/openmx/work/geoopt_example/TiO2_RF.out
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openmpi/share/openmx/work/geoopt_example/V2O5_BFGS.dat
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openmpi/share/openmx/work/geoopt_example/V2O5_BFGS.out
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openmpi/share/openmx/work/geoopt_example/V2O5_DIIS.dat
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openmpi/share/openmx/work/geoopt_example/V2O5_DIIS.out
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openmpi/share/openmx/work/geoopt_example/V2O5_EF.dat
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openmpi/share/openmx/work/geoopt_example/V2O5_EF.out
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openmpi/share/openmx/work/geoopt_example/V2O5_RF.dat
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openmpi/share/openmx/work/geoopt_example/V2O5_RF.out
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openmpi/share/openmx/work/geoopt_example/d-H2O_BFGS.dat
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openmpi/share/openmx/work/geoopt_example/d-H2O_BFGS.out
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openmpi/share/openmx/work/geoopt_example/d-H2O_DIIS.dat
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openmpi/share/openmx/work/geoopt_example/d-H2O_DIIS.out
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openmpi/share/openmx/work/geoopt_example/d-H2O_EF.dat
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openmpi/share/openmx/work/geoopt_example/d-H2O_EF.out
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openmpi/share/openmx/work/geoopt_example/d-H2O_RF.dat
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openmpi/share/openmx/work/geoopt_example/d-H2O_RF.out
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openmpi/share/openmx/work/input_example/Benzene.dat
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openmpi/share/openmx/work/input_example/Benzene.out
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openmpi/share/openmx/work/input_example/C60.dat
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openmpi/share/openmx/work/input_example/C60.out
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openmpi/share/openmx/work/input_example/CO.dat
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openmpi/share/openmx/work/input_example/CO.out
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openmpi/share/openmx/work/input_example/Cr2.dat
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openmpi/share/openmx/work/input_example/Cr2.out
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openmpi/share/openmx/work/input_example/Crys-MnO.dat
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openmpi/share/openmx/work/input_example/Crys-MnO.out
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openmpi/share/openmx/work/input_example/GaAs.dat
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openmpi/share/openmx/work/input_example/GaAs.out
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openmpi/share/openmx/work/input_example/Glycine.dat
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openmpi/share/openmx/work/input_example/Glycine.out
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openmpi/share/openmx/work/input_example/Graphite4.dat
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openmpi/share/openmx/work/input_example/Graphite4.out
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openmpi/share/openmx/work/input_example/H2O-EF.dat
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openmpi/share/openmx/work/input_example/H2O-EF.out
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openmpi/share/openmx/work/input_example/H2O.dat
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openmpi/share/openmx/work/input_example/H2O.out
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openmpi/share/openmx/work/input_example/HMn.dat
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openmpi/share/openmx/work/input_example/HMn.out
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openmpi/share/openmx/work/input_example/Methane.dat
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openmpi/share/openmx/work/input_example/Methane.out
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openmpi/share/openmx/work/input_example/Mol_MnO.dat
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openmpi/share/openmx/work/input_example/Mol_MnO.out
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openmpi/share/openmx/work/input_example/Ndia2.dat
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openmpi/share/openmx/work/input_example/Ndia2.out
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openmpi/share/openmx/work/input_example/runtest.result_FX10
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openmpi/share/openmx/work/input_example/runtest.result_K
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openmpi/share/openmx/work/input_example/runtest.result_PCC
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openmpi/share/openmx/work/input_example/runtest.result_abacus2
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openmpi/share/openmx/work/input_example/runtest.result_altix
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openmpi/share/openmx/work/input_example/runtest.result_s078-065
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openmpi/share/openmx/work/input_example/runtest.result_vsmp
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openmpi/share/openmx/work/input_example/runtest.result_vtpcc01
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openmpi/share/openmx/work/input_example/runtest.result_xc30
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openmpi/share/openmx/work/input_example/runtest.result_xc30_v3.6
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openmpi/share/openmx/work/large2_example/C1000.dat
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openmpi/share/openmx/work/large2_example/C1000.out
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openmpi/share/openmx/work/large2_example/Fe1000.dat
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openmpi/share/openmx/work/large2_example/Fe1000.out
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openmpi/share/openmx/work/large2_example/GRA1024.dat
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openmpi/share/openmx/work/large2_example/GRA1024.out
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openmpi/share/openmx/work/large2_example/Ih-Ice1200.dat
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openmpi/share/openmx/work/large2_example/Ih-Ice1200.out
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openmpi/share/openmx/work/large2_example/Pt500.dat
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openmpi/share/openmx/work/large2_example/Pt500.out
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openmpi/share/openmx/work/large2_example/R-TiO2-1050.dat
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openmpi/share/openmx/work/large2_example/R-TiO2-1050.out
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openmpi/share/openmx/work/large2_example/Si1000.dat
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openmpi/share/openmx/work/large2_example/Si1000.out
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openmpi/share/openmx/work/large2_example/runtestL2.result_xc30
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openmpi/share/openmx/work/large_example/5_5_13COb2.dat
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openmpi/share/openmx/work/large_example/5_5_13COb2.out
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openmpi/share/openmx/work/large_example/B2C62_Band.dat
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openmpi/share/openmx/work/large_example/B2C62_Band.out
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openmpi/share/openmx/work/large_example/CG15c-Kry.dat
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openmpi/share/openmx/work/large_example/CG15c-Kry.out
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openmpi/share/openmx/work/large_example/DIA512-1.dat
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openmpi/share/openmx/work/large_example/DIA512-1.out
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openmpi/share/openmx/work/large_example/FeBCC.dat
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openmpi/share/openmx/work/large_example/FeBCC.out
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openmpi/share/openmx/work/large_example/GEL.dat
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openmpi/share/openmx/work/large_example/GEL.out
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openmpi/share/openmx/work/large_example/GFRAG.dat
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openmpi/share/openmx/work/large_example/GFRAG.out
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openmpi/share/openmx/work/large_example/GGFF.dat
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openmpi/share/openmx/work/large_example/GGFF.out
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openmpi/share/openmx/work/large_example/MCCN.dat
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openmpi/share/openmx/work/large_example/MCCN.out
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openmpi/share/openmx/work/large_example/Mn12_148_F.dat
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openmpi/share/openmx/work/large_example/Mn12_148_F.out
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openmpi/share/openmx/work/large_example/N1C999.dat
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openmpi/share/openmx/work/large_example/N1C999.out
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openmpi/share/openmx/work/large_example/Ni63-O64.dat
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openmpi/share/openmx/work/large_example/Ni63-O64.out
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openmpi/share/openmx/work/large_example/Pt63.dat
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openmpi/share/openmx/work/large_example/Pt63.out
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openmpi/share/openmx/work/large_example/SialicAcid.dat
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openmpi/share/openmx/work/large_example/SialicAcid.out
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openmpi/share/openmx/work/large_example/ZrB2_2x2.dat
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openmpi/share/openmx/work/large_example/ZrB2_2x2.out
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openmpi/share/openmx/work/large_example/nsV4Bz5.dat
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openmpi/share/openmx/work/large_example/nsV4Bz5.out
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openmpi/share/openmx/work/large_example/runtestL.result_FX10
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openmpi/share/openmx/work/large_example/runtestL.result_K
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openmpi/share/openmx/work/large_example/runtestL.result_PCC
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openmpi/share/openmx/work/large_example/runtestL.result_abacus2
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openmpi/share/openmx/work/large_example/runtestL.result_altix
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openmpi/share/openmx/work/large_example/runtestL.result_vsmp
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openmpi/share/openmx/work/large_example/runtestL.result_vtpcc01
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openmpi/share/openmx/work/large_example/runtestL.result_xc30
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openmpi/share/openmx/work/large_example/runtestL.result_xc30_v3.6
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openmpi/share/openmx/work/ml_example/Co4+U.dat
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openmpi/share/openmx/work/ml_example/Co4.dat
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openmpi/share/openmx/work/ml_example/DIA8.dat
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openmpi/share/openmx/work/ml_example/DIA8_DC.dat
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openmpi/share/openmx/work/ml_example/DIA8_Krylov.dat
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openmpi/share/openmx/work/ml_example/FeO+U.dat
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openmpi/share/openmx/work/ml_example/Febcc2.dat
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openmpi/share/openmx/work/ml_example/GaAs.dat
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openmpi/share/openmx/work/ml_example/Glycine-H.dat
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openmpi/share/openmx/work/ml_example/Glycine.dat
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openmpi/share/openmx/work/ml_example/Glycine_Kry.dat
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openmpi/share/openmx/work/ml_example/Methane.dat
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openmpi/share/openmx/work/ml_example/SialicAcid.dat
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openmpi/share/openmx/work/ml_example/mltest.result
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openmpi/share/openmx/work/negf_example/Lead-Au-Chain-NC.dat
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openmpi/share/openmx/work/negf_example/Lead-Chain.dat
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openmpi/share/openmx/work/negf_example/Lead-Graphene.dat
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openmpi/share/openmx/work/negf_example/Lead-L-8ZGNR-NC.dat
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openmpi/share/openmx/work/negf_example/Lead-L-8ZGNR.dat
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openmpi/share/openmx/work/negf_example/Lead-R-8ZGNR-NC.dat
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openmpi/share/openmx/work/negf_example/Lead-R-8ZGNR.dat
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openmpi/share/openmx/work/negf_example/NEGF-8ZGNR-0.3.dat
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openmpi/share/openmx/work/negf_example/NEGF-8ZGNR-NC.dat
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openmpi/share/openmx/work/negf_example/NEGF-Au-Chain-NC.dat
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openmpi/share/openmx/work/negf_example/NEGF-Chain.dat
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openmpi/share/openmx/work/negf_example/NEGF-Graphene.dat
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openmpi/share/openmx/work/negf_example/lead-au-chain-nc.out
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openmpi/share/openmx/work/negf_example/lead-chain.out
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openmpi/share/openmx/work/negf_example/lead-graphene.out
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openmpi/share/openmx/work/negf_example/lead-l-8zgnr-nc.out
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openmpi/share/openmx/work/negf_example/lead-l-8zgnr.out
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openmpi/share/openmx/work/negf_example/lead-r-8zgnr-nc.out
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openmpi/share/openmx/work/negf_example/lead-r-8zgnr.out
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openmpi/share/openmx/work/negf_example/negf-8zgnr-0.3.out
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openmpi/share/openmx/work/negf_example/negf-8zgnr-nc.out
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openmpi/share/openmx/work/negf_example/negf-au-chain-nc.out
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openmpi/share/openmx/work/negf_example/negf-chain.out
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openmpi/share/openmx/work/negf_example/negf-graphene.out
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openmpi/share/openmx/work/negf_example/runtestNEGF.result_vtpcc
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openmpi/share/openmx/work/wf_example/Benzene.dat
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openmpi/share/openmx/work/wf_example/Benzene.out
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openmpi/share/openmx/work/wf_example/GaAs.dat
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openmpi/share/openmx/work/wf_example/GaAs.out
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openmpi/share/openmx/work/wf_example/GaAs_NC.dat
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openmpi/share/openmx/work/wf_example/GaAs_NC.out
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openmpi/share/openmx/work/wf_example/NC_CVO.dat
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openmpi/share/openmx/work/wf_example/NC_CVO.out
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openmpi/share/openmx/work/wf_example/NC_SVO.dat
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openmpi/share/openmx/work/wf_example/NC_SVO.out
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openmpi/share/openmx/work/wf_example/Si.dat
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openmpi/share/openmx/work/wf_example/Si.out
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openmpi/share/openmx/work/wf_example/VBz.dat
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openmpi/share/openmx/work/wf_example/VBz.out
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openmpi/share/openmx/work/wf_example/pmCVO.dat
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openmpi/share/openmx/work/wf_example/pmCVO.out
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openmpi/share/openmx/work/wf_example/runtestWF.result_vtpcc01
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openmpi/share/openmx/work/wf_example/symGra.dat
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openmpi/share/openmx/work/wf_example/symGra.out
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