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²ÉÓÃlambda.in¼ÆËã³ö³¬µ¼Î¶ȣ¬ÏÔʾÔÚlambda.outÀïÃæ£¬¶ÔÓ¦²»Í¬µÄlambdaÓв»Í¬µÄ³¬µ¼Î¶ȣ¬ÄÇôӦ¸ÃÈ¡ÄÇÒ»¸öÊʺϰ¡£¿Ð´ÎÄյϰ£¬Ó¦¸ÃÈ¡ÄÇÒ»¸ö¿ÉÐУ¿Çë´óÏÀÃǸøµã½¨Ò飿ÓÐÈË˵ÊÇÒª¿´ÊÕÁ²µÄÒ»¸ö£¬²»ÖªµÀÕâ¸öÊÕÁ²Ö¸µÄÊÇʲôÊÕÁ²£¿ lambda.inÈçÏ£º 9.89 0.12 1 ! emax (something more than highest phonon mode in THz), degauss, smearing method 12 0.000000 0.000000 0.000000 1 ! Number of q-points for which EPC is calculated, 0.000000 0.000000 0.202303 1 ! the first q-point, use kpoints.x program to calculate 0.000000 0.230940 0.000000 3 ! q-points and their weight 0.000000 0.230940 0.202303 3 ! 0.000000 0.230940 -0.202303 3 ! 4th q-point, qx,qy,qz 0.000000 0.461880 0.000000 3 ! 0.000000 0.461880 0.202303 3 ! 0.000000 0.461880 -0.202303 6 ! 0.200000 0.346410 0.000000 3 ! the last q-point 0.200000 0.346410 0.202303 6 0.200000 0.577350 0.000000 3 0.200000 0.577350 0.202303 3 elph. 0.000000. 0.000000. 0.000000 elph. 0.000000. 0.000000. 0.202303 ! elph output file names, elph. 0.000000. 0.230940. 0.000000 ! in the same order as the q-points before elph. 0.000000. 0.230940. 0.202303 elph. 0.000000. 0.230940.-0.202303 elph. 0.000000. 0.461880. 0.000000 elph. 0.000000. 0.461880. 0.202303 elph. 0.000000. 0.461880.-0.202303 elph. 0.200000. 0.346410. 0.000000 elph. 0.200000. 0.346410. 0.202303 elph. 0.200000. 0.577350. 0.000000 elph. 0.200000. 0.577350. 0.202303 ! Allen-Dynes formula for T_c (via \omega_log) 0.10 ! \mu the Coloumb coefficient in the modified lambda.outÈçÏ£º lambda = 1.084221 ( 1.084221) <log w>= 307.706K N(Ef)= 4.517842 at degauss=0.005 lambda = 0.566371 ( 0.566371) <log w>= 310.745K N(Ef)= 3.587039 at degauss=0.010 lambda = 0.448274 ( 0.448275) <log w>= 312.233K N(Ef)= 3.533603 at degauss=0.015 lambda = 0.387066 ( 0.387072) <log w>= 312.263K N(Ef)= 3.730138 at degauss=0.020 lambda = 0.366829 ( 0.366841) <log w>= 310.417K N(Ef)= 4.094577 at degauss=0.025 lambda = 0.373813 ( 0.373831) <log w>= 308.541K N(Ef)= 4.489714 at degauss=0.030 lambda = 0.388700 ( 0.388722) <log w>= 307.529K N(Ef)= 4.808704 at degauss=0.035 lambda = 0.402516 ( 0.402541) <log w>= 307.161K N(Ef)= 5.035879 at degauss=0.040 lambda = 0.412947 ( 0.412974) <log w>= 307.129K N(Ef)= 5.189173 at degauss=0.045 lambda = 0.420063 ( 0.420091) <log w>= 307.208K N(Ef)= 5.289633 at degauss=0.050 lambda omega_log T_c 1.08422 307.706 22.056 0.56637 310.745 4.603 0.44827 312.233 1.575 0.38707 312.263 0.611 0.36683 310.417 0.399 0.37381 308.541 0.462 0.38870 307.529 0.621 0.40252 307.161 0.794 0.41295 307.129 0.943 0.42006 307.208 1.052 |
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