[Octopus-users] laser output file has zero output/TDLasers or TDExternalFields
Jeff Houze
redstarchs at hotmail.com
Wed Aug 12 17:16:50 WEST 2009
If you look at migrating to octopus 3.0 link of main wiki page.
TDLasers was replaced by TDExternalFields.
I think that TDExternalFields doesn't do anything with version 2.1.0
Thus the zeros in laser file.
I don't know why you are seeing something happing to charge though?
Documentation for 2.1.0 is accessible http://www.tddft.org/programs/octopus/doc/2.1.0/html/vars.php
TDLasers http://www.tddft.org/programs/octopus/doc/2.1.0/html/vars/Time_Dependent.html#TDLasers
> From: listemily at eml.cc
> To: alberto.castro at tddft.org
> Date: Tue, 11 Aug 2009 17:20:42 -0400
> CC: octopus-users at tddft.org
> Subject: Re: [Octopus-users] laser output file has zero output/TDLasers or TDExternalFields
>
> I have not yet figured out why my td.general/laser file has zeros for
> most of the fields, and I'm hoping somebody can suggest why. I'm using
> octopus version 2.1.0. I've tried both "TDExternalField" and
> "TDExternalFields", and an amplitude of 0.1 and 1, as seen in the lines
> from my inp files below. I'm seeing a change in my density, but its
> pretty small, so it might be that my system isn't feeling a field? I'm
> currently doing a run with an amplitude of 10, and it doesn't look any
> different for the first 20 iterations.
>
> ______________________________
> omega = 0.173 # This is the largest peak from run 68358, delta response.
> amplitude = 1 # 1 Hartree / (a_0^2 atomic_time) = 6.4364086e+15 W / cm^2
>
> %TDExternalFields
> electric_field | 0 | 1 | 0 | omega | "continuous_wave"
> %
>
> %TDFunctions
> "continuous_wave" | tdf_cw | amplitude
> %
> _______________________________
> omega = 0.179
> amplitude = 0.1 # 1 Hartree / (a_0^2 atomic_time) = 6.4364086e+15 W /
> cm^2
>
> %TDExternalField
> electric_field | 1 | 0 | 0 | omega | "continuous_wave"
> %
>
> %TDFunctions
> "continuous_wave" | tdf_cw | amplitude
> %
> _______________________________
>
> My file td.general/laser has zero for all fields except time and
> iteration number, for 8000 iterations, as would be extrapolated from the
> first six lines below.
> _______________________________
> #################################################################################
> HEADER
> # dt = 0.100000000000E+00 [hbar/H]
> # Iter t E(1) E(2)
> E(3) A(1) A(2) A(3)
> #[Iter n.] [hbar/H] [H / b] [H / b]
> [H / b] [1/b] [1/b] [1/b]
> ################################################################################
> 0 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
> 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
> 0.000000000000e+00
> 1 1.000000000000e-01 0.000000000000e+00 0.000000000000e+00
> 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
> 0.000000000000e+00
> 2 2.000000000000e-01 0.000000000000e+00 0.000000000000e+00
> 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
> 0.000000000000e+00
> 3 3.000000000000e-01 0.000000000000e+00 0.000000000000e+00
> 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
> 0.000000000000e+00
> 4 4.000000000000e-01 0.000000000000e+00 0.000000000000e+00
> 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
> 0.000000000000e+00
> 5 5.000000000000e-01 0.000000000000e+00 0.000000000000e+00
> 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
> 0.000000000000e+00
> 6 6.000000000000e-01 0.000000000000e+00 0.000000000000e+00
> 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
> 0.000000000000e+00
> _______________________________
>
>
> If anybody could suggest what I'm doing wrong, I'd greatly appreciate
> it.
>
> Thanks, Emily
>
>
> ----- Original message -----
> From: "Emily" <listemily at eml.cc>
> To: " Alberto Castro" <alberto.castro at tddft.org>
> Cc: "octopus users group" <octopus-users at tddft.org>
> Date: Wed, 05 Aug 2009 16:46:45 -0400
> Subject: Re: [Octopus-users] laser output file has zero output/TDLasers
> or TDExternalFields
>
> p.s. I'm using octopus version 2.1.0. Is that an old version that has a
> bug around this?
>
>
> ----- Original message -----
> From: "Emily" <listemily at eml.cc>
> To: "Alberto Castro" <alberto.castro at tddft.org>
> Cc: "octopus users group" <octopus-users at tddft.org>
> Date: Wed, 05 Aug 2009 16:43:29 -0400
> Subject: Re: [Octopus-users] laser output file has zero output/TDLasers
> or TDExternalFields
>
> Hi Alberto, Jeff & others,
>
> Yes, I believe I'm using TDExternalField in the same manner as Jeff's
> example, and I'm definitely getting zeros in my lasers file. Here are
> the relevant lines from my inp file:
>
> omega = 0.173
> amplitude = 0.1
>
> %TDExternalField
> electric_field | 0 | 1 | 0 | omega | "continuous_wave"
> %
>
> %TDFunctions
> "continuous_wave" | tdf_cw | amplitude
> %
>
> Its clearly doing something to the charge distribution.
>
> Any idea what's going wrong?
>
> Thanks very much!
> Emily
>
> ----- Original message -----
> From: "Alberto Castro" <alberto.castro at tddft.org>
> To: "Emily" <listemily at eml.cc>
> Cc: "octopus users group" <octopus-users at tddft.org>
> Date: Sat, 1 Aug 2009 10:51:23 +0200 (CEST)
> Subject: Re: [Octopus-users] laser output file has zero output/TDLasers
> or TDExternalFields
>
>
> Hi Emily,
>
> TDLasers is obsolete, so it will only work in older version. The pair
> "TDExternalFields" and "TDFunctions" is the correct procedure
> now. Jeff has sent a good example.
>
> If you are still getting zeroes, please send you input options to the
> list so that somebody can figure out what's wrong.
>
> And thanks for the hint about google...
>
> Cheers, Alberto.
>
> On Fri, 31 Jul 2009, Emily wrote:
>
> > Hello Octopus Users,
> >
> > I'm trying to put an oscillating electric field on my system. I used
> > the block TDExternalFields, and the program ran and the charge density
> > definitely looked different than with no field, so something happenned.
> > But I also used TDOutput = lasers, and got a file td.general/laser that
> > shows zeros in every field except the time and iteration number. So I
> > googled the users group archive and found somebody else who's laser
> > fields were all zero, and it was recommended that they use TDLasers
> > instead of TDExternalFields. But apparently the syntax has changed
> > between these two variables, and I couldn't find any documentation for
> > how to use the obsolete variable TDLasers.
> >
> > Can anybody tell me how to make TDExternalFields and/or TDOutput to work
> > correctly to print out the laser field?
> >
> > Or, if that's not possible, can somebody tell me how to use the obsolete
> > variable TDLasers?
> >
> > Thanks very much,
> > Emily
> >
> > p.s. Perhaps not everybody has yet realized this, but you can do a
> > google search such as
> > TDLasers site:tddft.org
> > and since the user group archives are available in this domain it will
> > search the archives, tutorial, manual and anything else on the site all
> > at once.
> >
> > _______________________________________________
> > Octopus-users mailing list
> > Octopus-users at tddft.org
> > http://www.tddft.org/mailman/listinfo/octopus-users
> >
>
> ======================================================================
> Dr. Alberto Castro
>
> Institut fur Theoretisch Physik, Freie Universitat Berlin.
> Arnimallee, 14, Berlin 14195 (Deutschland)
>
> Tel: +49 30 83853028
> Fax: +49 30 83855258
> skype: alberto_c_barrigon
> email: alberto at physik.fu-berlin.de
> ======================================================================
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