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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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2Â¥2013-07-21 00:34:41
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gswylq

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ÒýÓûØÌû:
2Â¥: Originally posted by yanze at 2013-07-21 00:34:41
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3Â¥2013-07-22 08:35:25
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4Â¥2013-08-15 10:45:42
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