[Pw_forum] Which T_c to select?

小金 1362055231 at qq.com
Fri Jan 16 04:50:48 CET 2015


Hi! All I have calculated the superconductivity temperature (T_c) using PWSCF5.1, but I don't konow which T_c should I select. The lambda.out file is shown below. The convergence value of T_c is about 20 K at degauss=0.50. But I think, the degauss value is too high. So does T_c=20 K is  reasonable?  
     lambda = 0.189642 (  0.189293)  <log w>=  868.577K  N(Ef)= 2.282784 at degauss=0.020      lambda = 0.225349 (  0.225151)  <log w>=  824.337K  N(Ef)= 2.501259 at degauss=0.040      lambda = 0.268664 (  0.268490)  <log w>=  826.683K  N(Ef)= 2.807269 at degauss=0.060      lambda = 0.305953 (  0.305711)  <log w>=  834.678K  N(Ef)= 3.116082 at degauss=0.080      lambda = 0.337887 (  0.337570)  <log w>=  838.878K  N(Ef)= 3.394924 at degauss=0.100      lambda = 0.368098 (  0.367726)  <log w>=  836.917K  N(Ef)= 3.646690 at degauss=0.120      lambda = 0.399433 (  0.399031)  <log w>=  828.882K  N(Ef)= 3.878951 at degauss=0.140      lambda = 0.432727 (  0.432336)  <log w>=  815.718K  N(Ef)= 4.096595 at degauss=0.160      lambda = 0.467553 (  0.467219)  <log w>=  799.440K  N(Ef)= 4.301970 at degauss=0.180      lambda = 0.503118 (  0.502885)  <log w>=  782.463K  N(Ef)= 4.495636 at degauss=0.200      lambda = 0.538240 (  0.538141)  <log w>=  766.386K  N(Ef)= 4.676941 at degauss=0.220      lambda = 0.571782 (  0.571836)  <log w>=  752.378K  N(Ef)= 4.844604 at degauss=0.240      lambda = 0.603029 (  0.603241)  <log w>=  740.900K  N(Ef)= 4.997265 at degauss=0.260      lambda = 0.631527 (  0.631891)  <log w>=  732.094K  N(Ef)= 5.133888 at degauss=0.280      lambda = 0.656678 (  0.657184)  <log w>=  725.565K  N(Ef)= 5.253952 at degauss=0.300      lambda = 0.678616 (  0.679248)  <log w>=  721.060K  N(Ef)= 5.357470 at degauss=0.320      lambda = 0.697467 (  0.698207)  <log w>=  718.221K  N(Ef)= 5.444908 at degauss=0.340      lambda = 0.713189 (  0.714022)  <log w>=  716.654K  N(Ef)= 5.517070 at degauss=0.360      lambda = 0.726153 (  0.727065)  <log w>=  716.244K  N(Ef)= 5.574981 at degauss=0.380      lambda = 0.736509 (  0.737483)  <log w>=  716.652K  N(Ef)= 5.619785 at degauss=0.400      lambda = 0.744609 (  0.745634)  <log w>=  717.738K  N(Ef)= 5.652671 at degauss=0.420      lambda = 0.750644 (  0.751709)  <log w>=  719.388K  N(Ef)= 5.674820 at degauss=0.440      lambda = 0.754762 (  0.755859)  <log w>=  721.377K  N(Ef)= 5.687369 at degauss=0.460      lambda = 0.757349 (  0.758468)  <log w>=  723.722K  N(Ef)= 5.691388 at degauss=0.480      lambda = 0.758516 (  0.759650)  <log w>=  726.340K  N(Ef)= 5.687870 at degauss=0.500      lambda = 0.758469 (  0.759614)  <log w>=  729.163K  N(Ef)= 5.677722 at degauss=0.520      lambda = 0.757196 (  0.758346)  <log w>=  732.148K  N(Ef)= 5.661772 at degauss=0.540      lambda = 0.755147 (  0.756297)  <log w>=  735.273K  N(Ef)= 5.640764 at degauss=0.560      lambda = 0.752240 (  0.753387)  <log w>=  738.456K  N(Ef)= 5.615367 at degauss=0.580      lambda = 0.748602 (  0.749743)  <log w>=  741.707K  N(Ef)= 5.586178 at degauss=0.600 lambda        omega_log          T_c    0.18964       868.577              0.000    0.22535       824.337              0.000    0.26866       826.683              0.001    0.30595       834.678              0.016    0.33789       838.878              0.096    0.36810       836.917              0.304    0.39943       828.882              0.728    0.43273       815.718              1.458    0.46755       799.440              2.542    0.50312       782.463              3.963    0.53824       766.386              5.634    0.57178       752.378              7.435    0.60303       740.900              9.259    0.63153       732.094             11.027    0.65668       725.565             12.656    0.67862       721.060             14.128    0.69747       718.221             15.432    0.71319       716.654             16.549    0.72615       716.244             17.499    0.73651       716.652             18.282    0.74461       717.738             18.919    0.75064       719.388             19.419    0.75476       721.377             19.786    0.75735       723.722             20.048    0.75852       726.340             20.210    0.75847       729.163             20.285    0.75720       732.148             20.269    0.75515       735.273             20.197    0.75224       738.456             20.058    0.74860       741.707             19.862Thanks in advance. 
with regards‍Yan‍
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