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- From: St Druid <tq02ksu@gmail.com>
- To: forum@abinit.org
- Subject: Re: [abinit-forum] tolerant criteria of rf calculations.
- Date: Sun, 7 Jun 2009 16:00:51 +0800
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Dear Matthieu,
I am sorry of my later response and ambiguous expression. I have fully
read netiquette. So,
> you attach an abinit input file to calculate phonons (this is fine).
> The electron phonon calculation is done later in anaddb.
The file I attached is derived from telphon_1.in, in order to
calculation el-phonon interactions and superconducting temperature.
Note that, the first dataset in it is of a ground-state calculation
with criterion tolwfr 1.0d-20(suggested by tutorial lesson Elphon).
But in tutorial RF2, also the FIRST dataset of input file trf2_1.in,
similar ground-state calculation uses the criterion tolvrs 1.0d-18.
Both ground-state scf calculation is to generate a wave function, but
why the criteria are totally different?
May be the Elphon calculation needs a relevant more preciser wave
function in order to compute e-DOS, but in tutorial lesson three,
t35.in the tolerant criterion is toldfe 1.0d-6. I am really confused.
What is the insight within it?
Thank you!
Best regards
--
B.W. Dong
State Key Laboratory of Superhard Materials,
Jilin University, Changchun, China. 130012
tq02ksu@gmail.com [ dbw07@mails.jlu.edu.cn ]
- [abinit-forum] tolerant criteria of rf calculations., St Druid, 06/04/2009
- Re: [abinit-forum] tolerant criteria of rf calculations., matthieu verstraete, 06/04/2009
- Re: [abinit-forum] tolerant criteria of rf calculations., St Druid, 06/05/2009
- Re: [abinit-forum] tolerant criteria of rf calculations., matthieu verstraete, 06/05/2009
- Re: [abinit-forum] tolerant criteria of rf calculations., Anglade Pierre-Matthieu, 06/05/2009
- Re: Re: [abinit-forum] tolerant criteria of rf calculations., Zhenhua Zeng, 06/05/2009
- Re: Re: [abinit-forum] tolerant criteria of rf calculations., Anglade Pierre-Matthieu, 06/05/2009
- Re: Re: [abinit-forum] tolerant criteria of rf calculations., Zhenhua Zeng, 06/05/2009
- Re: [abinit-forum] tolerant criteria of rf calculations., St Druid, 06/07/2009
- Re: [abinit-forum] tolerant criteria of rf calculations., 6671011, 06/08/2009
- Re: [abinit-forum] tolerant criteria of rf calculations., Anglade Pierre-Matthieu, 06/08/2009
- Re: [abinit-forum] tolerant criteria of rf calculations., St Druid, 06/08/2009
- Re: [abinit-forum] tolerant criteria of rf calculations., matthieu verstraete, 06/10/2009
- Re: [abinit-forum] tolerant criteria of rf calculations., St Druid, 06/11/2009
- Re: [abinit-forum] tolerant criteria of rf calculations., Anglade Pierre-Matthieu, 06/08/2009
- Re: [abinit-forum] tolerant criteria of rf calculations., 6671011, 06/08/2009
- Re: [abinit-forum] tolerant criteria of rf calculations., Anglade Pierre-Matthieu, 06/05/2009
- Re: [abinit-forum] tolerant criteria of rf calculations., matthieu verstraete, 06/05/2009
- Re: [abinit-forum] tolerant criteria of rf calculations., St Druid, 06/05/2009
- Re: [abinit-forum] tolerant criteria of rf calculations., matthieu verstraete, 06/04/2009
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