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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