How to restart from the calculations of solving Eliashberg

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hellolori

How to restart from the calculations of solving Eliashberg

Post by hellolori »

Dear all,

Recently, I ran into a problem that the calculations crashed in the process of solving anisotropic Eliashberg equations (conv_thr_iaxis = 1.0d-4):

Code: Select all

 
     iter =      1   relerr =     2.4506478586E+00   abserr =     1.8665397950E-03   Znormi(1) =     2.2831093634E+00   Deltai(1) =     2.2093421381E-03
     iter =      2   relerr =     9.3553386347E-02   abserr =     7.2508889345E-05   Znormi(1) =     2.2678266877E+00   Deltai(1) =     2.5252278821E-03
     iter =      3   relerr =     8.6797838393E-02   abserr =     7.2598717285E-05   Znormi(1) =     2.2488812327E+00   Deltai(1) =     2.8596203692E-03
     iter =      4   relerr =     5.6733236298E-02   abserr =     5.0270428965E-05   Znormi(1) =     2.2387233527E+00   Deltai(1) =     3.0308264309E-03
     iter =      5   relerr =     5.8652682987E-02   abserr =     5.5208887525E-05   Znormi(1) =     2.2283793011E+00   Deltai(1) =     3.2004540517E-03
     iter =      6   relerr =     5.9208830251E-02   abserr =     5.9232247802E-05   Znormi(1) =     2.2173695216E+00   Deltai(1) =     3.3729248407E-03
     iter =      7   relerr =     3.0891871779E-02   abserr =     3.1887300572E-05   Znormi(1) =     2.2132471389E+00   Deltai(1) =     3.4479379561E-03
     iter =      8   relerr =     1.8765431258E-02   abserr =     1.9013801052E-05   Znormi(1) =     2.2156315254E+00   Deltai(1) =     3.4026869489E-03
     iter =      9   relerr =     5.7782452356E-04   abserr =     5.8521220320E-07   Znormi(1) =     2.2159359256E+00   Deltai(1) =     3.3991815748E-03

I would like to know is it possible to restart from the last step of the iteration as shown above in EPW? How to do that?

Bests!
roxana
Posts: 172
Joined: Fri Jan 22, 2016 6:48 pm
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Re: How to restart from the calculations of solving Eliashbe

Post by roxana »

Hi,

The code doesn't have the option to restart from a previous iteration at a given temperature.

However, you can start from the files from your last temperature by setting "imag_read=.true." or you can provide a guess for "gap_edge" by setting it equal to Deltai(1) from iter = 7 in your case.

Best,
Roxana
Roxana Margine
Associate Professor
Department of Physics, Applied Physics and Astronomy
Binghamton University, State University of New York
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