// *** 物理定数 *** // 電子の静止質量 (kg) me = 9.1093826E-31; // アボガドロ数 (mol^-1) na = 6.02214129E23; // ボルツマン定数 (J/K) kB = 1.3806488E-23; // リュードベリ (J/Ry) ry = 2.179872E-18; // ボーア半径 (m/Bohr) bohr = 0.529177E-10; // *** 格子定数とWigner-Seitz半径の変換 *** // bcc deff('rws = abcc2rws(abcc)', 'rws = (3 / 8 / %pi) ^ (1 / 3) * abcc'); deff('abcc = rws2abcc(rws)', 'abcc = (8 * %pi / 3) ^ (1 / 3) * rws'); // fcc deff('rws = afcc2rws(afcc)', 'rws = (3 / 16 / %pi) ^ (1 / 3) * afcc'); deff('afcc = rws2afcc(rws)', 'afcc = (16 * %pi / 3) ^ (1 / 3) * rws'); // *** 平均原子量 *** // http://www.inv.co.jp/~yoshi/kigou/gensi.html Mh = 1.008; Mhe = 4.003; Mli = 6.941; Mbe = 9.012; Mb = 10.81; Mc = 12.01; Mn = 14.01; Mo = 16; Mf = 19; Mne = 20.18; Mna = 22.99; Mmg = 24.31; Mal = 26.98; Msi = 28.09; Mp = 30.97; Ms = 32.07; Mcl = 35.45; Mar = 39.95; Mk = 39.1; Mca = 40.08; Msc = 44.96; Mti = 47.88; Mv = 50.94; Mcr = 52; Mmn = 54.94; Mfe = 55.85; Mco = 58.93; Mni = 58.69; Mcu = 63.55; Mzn = 65.39; Mga = 69.72; Mge = 72.61; Mas = 74.92; Mse = 78.96; Mbr = 79.9; Mkr = 83.8; Mrb = 85.47; Msr = 87.62; My = 88.91; Mzr = 91.22; Mnb = 92.91; Mmo = 95.94; Mtc = 99; Mru = 101.1; Mrh = 102.9; Mpd = 106.4; Mag = 107.9; Mcd = 112.4; Min = 114.8; Msn = 118.7; Msb = 121.8; Mte = 127.6; Mi = 126.9; Mxe = 131.3; Mcs = 132.9; Mba = 137.3; Mla = 138.9; Mce = 140.1; Mpr = 140.9; Mnd = 144.2; Mpm = 145; Msm = 150.4; Meu = 152; Mgd = 157.3; Mtb = 158.9; Mdy = 162.5; Mho = 164.9; Mer = 167.3; Mtm = 168.9; Myb = 173; Mlu = 175; Mhf = 178.5; Mta = 180.9; Mw = 183.8; Mre = 186.2; Mos = 190.2; Mir = 192.2; Mpt = 195.1; Mau = 197; Mhg = 200.6; Mtl = 204.4; Mpb = 207.2; Mbi = 209; Mpo = 210; Mat = 210; Mrn = 222; Mfr = 223; Mra = 226; Mac = 227; Mth = 232; Mpa = 231; Mu = 238; Mnp = 237; Mpu = 239; Mam = 243; Mcm = 247; Mbk = 247; Mcf = 252; Mes = 252; Mfm = 257; Mmd = 256; Mno = 259; Mlr = 260;