[Pw_forum] Error while calculating Tc using Allen-Dynes formula

[Isaiah Moses]

Hi Pachineela,

Merry Christmas and happy new year in advance to you.

Check your phonon frequencies.
It looks as if you have negative (imaginary) frequencies and hence the
"NAN" in your calculation.

Regards,
Isaiah

On Mon, Dec 25, 2017 at 6:58 PM, pachineela rambabu <rams.hcu at gmail.com>
wrote:

> Dear Forum, New year greetings to all.
>                   After running lambda.x, I got the following output in
> lambda.out:
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> *     lambda = 0.919464 (        NaN )  <log w>=      NaN K  N(Ef)=
> 6.988731 at degauss= 0.005     lambda = 0.942358 (        NaN )  <log
> w>=      NaN K  N(Ef)=  7.622487 at degauss= 0.010     lambda = 0.966873
> (        NaN )  <log w>=      NaN K  N(Ef)=  7.828849 at degauss= 0.015
> lambda = 0.975391 (        NaN )  <log w>=      NaN K  N(Ef)=  7.866457 at
> degauss= 0.020     lambda = 0.978280 (        NaN )  <log w>=      NaN K
> N(Ef)=  7.865753 at degauss= 0.025     lambda = 0.977141 (        NaN )
> <log w>=      NaN K  N(Ef)=  7.844630 at degauss= 0.030     lambda =
> 0.972642 (        NaN )  <log w>=      NaN K  N(Ef)=  7.804841 at degauss=
> 0.035     lambda = 0.965423 (        NaN )  <log w>=      NaN K  N(Ef)=
> 7.747033 at degauss= 0.040     lambda = 0.955786 (        NaN )  <log
> w>=      NaN K  N(Ef)=  7.672706 at degauss= 0.045     lambda = 0.944028
> (        NaN )  <log w>=      NaN K  N(Ef)=  7.584531 at degauss=
> 0.050lambda        omega_log          T_c   0.91946
> NaN                NaN   0.94236           NaN                NaN
> 0.96687           NaN                NaN   0.97539
> NaN                NaN   0.97828           NaN                NaN
> 0.97714           NaN                NaN   0.97264
> NaN                NaN   0.96542           NaN                NaN
> 0.95579           NaN                NaN   0.94403
> NaN                NaN*
> Actually, I used spin-orbit coupling in my calculation. My lambda.in file
> is:
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> *13.0 0.005  1       12       0.0000000  0.0000000  0.0000000   1.00
> 0.2500000  0.1443376  0.0000000   6.00       0.5000000  0.2886751
> 0.0000000   3.00       0.2500000  0.4330127  0.0000000   6.00
> 0.0000000  0.0000000  0.0763909   2.00       0.2500000  0.1443376
> 0.0763909  12.00       0.5000000  0.2886751  0.0763909   6.00
> 0.2500000  0.4330127  0.0763909  12.00       0.0000000  0.0000000
> 0.1527819   1.00       0.2500000  0.1443376  0.1527819   6.00
> 0.5000000  0.2886751  0.1527819   3.00       0.2500000  0.4330127
> 0.1527819
> 6.00elph_dir/elph.inp_lambda.1elph_dir/elph.inp_lambda.2elph_dir/elph.inp_lambda.3elph_dir/elph.inp_lambda.4elph_dir/elph.inp_lambda.5elph_dir/elph.inp_lambda.6elph_dir/elph.inp_lambda.7elph_dir/elph.inp_lambda.8elph_dir/elph.inp_lambda.9elph_dir/elph.inp_lambda.10elph_dir/elph.inp_lambda.11elph_dir/elph.inp_lambda.120.13
> *
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> Please tell me where am I wrong and how to get Tc?
>
> thanks in advance,
> --
> *P. Rambabu*
> PhD Scholor
> Physics Department, IIT Hyderabad
> Kandi, SangaReddy, Telangana, India.
> Mobile: 9074508220.
>
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>



-- 
Isaiah Abu Moses
Graduate Student,
Physics Department,
University of Ibadan,
Nigeria
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