DFT的matlab源代码-scm2020:材料计算仿真学科存储库，IFUSP，2020年 （439个子文件） 
al.m-v.12 285B al.g.12 285B al.m-p.12 285B al.m-p.16 285B al.g.16 285B al.m-v.16 285B al.g.6 230B al.m-v.6 230B al.m-p.6 230B al.m-v.8 285B al.g.8 285B al.m-p.8 285B CH.airebo 942KB Si.charge 233KB MP5.csv 46KB MP1.csv 45KB MP0.csv 45KB MP6.csv 45KB MP2.csv 44KB MP3.csv 40KB MP4.csv 35KB MP7.csv 29KB NIST_273.15K.dat 1KB NIST_303.15K.dat 1KB conf3.dat 1007B conf2.dat 989B experimental_308K.dat 447B OPLS_273.15K.dat 276B TraPPE_273.15K.dat 274B TraPPE_303.15K.dat 274B OPLS_303.15K.dat 272B conf1.dat 250B bulk_modulus_Si.dat 161B bulk_modulus_Al.dat 44B CNT.data 78KB si.etot_vs_ecut 310B si.etot_vs_nks 78B
data.gif 1.13MB mfi_channels.gif 177KB msd.gps 502B comp_visc.gps 405B comp_pres.gps 396B comp_diff.gps 355B gr.gps 227B nn_trained.h5 1.95MB nn_raw.h5 675KB
directions.html 11KB index.html 2KB favicon.ico 1KB 01.in 2KB 01.in 2KB 01.in 2KB 01.in 2KB 01.in 2KB 01.in 2KB 01.in 2KB 01.in 2KB 01.in 2KB 01.in 2KB 01.in 2KB 01.in 2KB 01.in 2KB 01.in 2KB 01.in 2KB 01.in 2KB 01.in 2KB 01.in 2KB 01.in 2KB 01.in 2KB confr3.in 1KB confr1.in 1KB confr4.in 1KB confr2.in 1KB confr1.in 1KB confr2.in 1KB confr5.in 1KB confr6.in 1KB confr24.in 1KB confr3.in 1KB confr23.in 1KB confr24.in 1KB confr20.in 1KB confr8.in 1KB confr11.in 1KB confr12.in 1KB confr13.in 1KB confr19.in 1KB confr9.in 1KB confr14.in 1KB confr15.in 1KB confr10.in 1KB confr18.in 1KB confr22.in 1KB confr23.in 1KB confr17.in 1KB confr7.in 1KB confr16.in 1KB confr20.in 1KB confr19.in 1KB confr18.in 1KB共 439 条
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