[Pw_forum] question on electron phonon calculations.

[Elie M]

Dear all,
Sorry to disturb you again with my question on el-phonon coupling. I am a bit confused about things..My input for matdyn.in file is:
"&input asr = 'crystal', amass(1) = 12.0107 , flfrc = 'elphmgraph.fc', flfrq = 'elphmgraph.freq', la2F=.true., dos=.true., fldos= 'elphmgraph.dos', nk1=10, nk2=10, nk3=1, ndos=50"(1) Are the (nk1, nk2, nk3) points in q-space along which the DOS will be calculated?(2) what is the meaning of ndos ?
My output for the el-phonon lambda coefficient is the following (lambda.x):
" lambda = 0.132336 (  0.000000)  <log w>= 2442.211K  N(Ef)= 0.125375 at degauss=0.005     lambda = 0.060186 (  0.000000)  <log w>= 2442.211K  N(Ef)= 0.069039 at degauss=0.010     lambda = 0.025467 (  0.000000)  <log w>= 2442.211K  N(Ef)= 0.084136 at degauss=0.015     lambda = 0.017078 (  0.000044)  <log w>= 1854.271K  N(Ef)= 0.112212 at degauss=0.020     lambda = 0.015266 (  0.000282)  <log w>= 1854.271K  N(Ef)= 0.140938 at degauss=0.025     lambda = 0.015856 (  0.000682)  <log w>= 1854.271K  N(Ef)= 0.170144 at degauss=0.030     lambda = 0.017428 (  0.001112)  <log w>= 1854.271K  N(Ef)= 0.199989 at degauss=0.035     lambda = 0.019354 (  0.001435)  <log w>= 1847.432K  N(Ef)= 0.230702 at degauss=0.040     lambda = 0.021508 (  0.001572)  <log w>= 1822.899K  N(Ef)= 0.262647 at degauss=0.045     lambda = 0.023948 (  0.001582)  <log w>= 1662.813K  N(Ef)= 0.296316 at degauss=0.050lambda        omega_log          T_c   0.13234      2442.211              0.000   0.06019      2442.211          *********   0.02547      2442.211          *********   0.01708      1854.271          *********   0.01527      1854.271          *********   0.01586      1854.271          *********   0.01743      1854.271          *********   0.01935      1847.432          *********   0.02151      1822.899          *********   0.02395      1662.813          *********"
(1) What are the above degauss values? what are they 10 in number?(2) Tc is 0.0 and not being able to be computed for other values of lambda. Is the output normal? or is there something that went wrong in the execution?
Thanks a lot again
Eie KoujesUniversit of NottsNG7 2RDUK 		 	   		  
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