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8:53
YouTube
Abinitio Calculation
Abinit (band calculation)
case_band.files ----- case_band.in case_band.out caseo case_bando case_bandtmp Ti.GGA_PBE-JTH.xml C.GGA_PBE-JTH.xml ----- case_band.in ----- # SCF Calculation data # Cif2cell data # Structural parameters acell 3*8.1768448347 rprim 0.000000000000000 0.500000000000000 0.500000000000000 0.500000000000000 0.000000000000000 0.500000000000000 0. ...
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May 13, 2016
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