PAOFLOW:从DFT wfc在原子轨道基础（PAO）上的投影来构造和操作哈密顿量的实用程序
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2021-04-19
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PAOFLOW:从DFT wfc在原子轨道基础（PAO）上的投影来构造和操作哈密顿量的实用程序 （993个子文件） 
._testAl 239B libmkl_em64t.a 64B libmkl_ipf.a 64B libmkl_ipf_nothread.a 62B libmkl_em64t_nothread.a 62B libmkl_ia32.a 59B libmkl_ia32_nothread.a 57B configure.ac 59KB parse_output.awk 3KB FermiSurf_0.bxsf 1.36MB FermiSurf_0.bxsf 1.36MB Berry_xy.bxsf 464KB spin_Berry_z_xy.bxsf 464KB fftw2.c 929KB fftw.c 929KB cints.c 38KB gcube2plt.c 25KB cuda_env.c 9KB fft_stick.c 6KB fft_stick.c 6KB c_mkdir.c 4KB cptimer.c 879B environment.conf 2KB configure 278KB matrices_Au16.dat 5.89MB matrices_Au1.dat 5.78MB matrices_Au8.dat 4.43MB bands_0.dat 1.04MB bands_0.dat 955KB bands_0.dat 777KB full.dat 672KB velocity_2_0.dat 601KB velocity_0_0.dat 601KB velocity_1_0.dat 601KB bands_0.dat 559KB bands_0.dat 559KB bands_0.dat 559KB bands_PA.dat 548KB bands_0.dat 543KB bands_0.dat 543KB bands_Si.dat 513KB bands_0.dat 465KB bands_0.dat 465KB bands_0.dat 465KB bands_0.dat 465KB effmass_yz_0.dat 374KB velocity_2_0.dat 367KB velocity_0_0.dat 367KB velocity_1_0.dat 367KB effmass_yz_0.dat 353KB effmass_yz_0.dat 353KB effmass_yz_0.dat 353KB effmass_yz_0.dat 353KB velocity_1_0.dat 345KB velocity_1_0.dat 345KB velocity_1_0.dat 345KB velocity_1_0.dat 345KB velocity_2_0.dat 344KB velocity_2_0.dat 344KB velocity_2_0.dat 344KB velocity_2_0.dat 344KB velocity_0_0.dat 343KB velocity_0_0.dat 343KB velocity_0_0.dat 343KB velocity_0_0.dat 343KB bands_0.dat 302KB bands_0.dat 302KB bands_0.dat 302KB bands_0.dat 294KB bands_0.dat 273KB effmass_xy_0.dat 235KB bands_dft_Si.dat 226KB velocity_2_0.dat 184KB velocity_0_0.dat 184KB velocity_1_0.dat 184KB dos_0.dat 155KB bands_Au1_PROJ.dat 145KB effmass_xy_0.dat 117KB cond_CnHn.dat 91KB doscond_CnHn.dat 91KB Omega_z_yz.dat 65KB Omega_z_xy.dat 65KB Omegaj_z_xy.dat 64KB sigmadk_0.dat 47KB PF_0.dat 47KB sigma_0.dat 47KB kappa_0.dat 47KB Seebeck_0.dat 47KB sigmadk_0.dat 47KB sigmadk_0.dat 47KB PF_0.dat 47KB Seebeck_0.dat 47KB kappa_0.dat 47KB sigma_0.dat 47KB Seebeck_0.dat 47KB kappa_0.dat 47KB sigma_0.dat 47KB PF_0.dat 47KB Seebeck_1.dat 47KB sigmadk_0.dat 47KB共 993 条
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