The ABINIT Users Mailing List ( CLOSED )

[Masayoshi Mikami <mmikami@yk.rim.or.jp>]

Hello,

It would be a good idea to read the FAQ ... for example,
a)http://www.abinit.org/ABINIT/Infos/FAQ.htm#Difference
b)http://www.abinit.org/ABINIT/Infos/FAQ.htm#find_doc
c)http://www.abinit.org/ABINIT/Infos/FAQ.htm#bug_report (the link also)

Based on the spirit of a) and c),
"Please describe specific/consise information as possible in your
e-mail. Attachment of your (full) input file along with your
ABINIT version will be fine to avoid guessing what you are doing
with ABINIT." 

About the RF calculation for metallic case : 
first, you might want to take your time to run Test_*/Tutorial 
jobs archived in the src_tests_*.tar.gz. 
If you would be still hasty ... as an application of b),
                 grep  rfphon Test_*/*in
then check which jobs are metallic cases ... there are many !
(e.g. Test_paral, Test_physics, Test_v2/t9*, Test_v3/t18 ...)
"Please be aware that some input parameters are deliberately
reduced for short CPU time." 
(from http://www.abinit.org/ABINIT/Infos/FAQ.htm#newbie_ABINIT )
Then, you will find your solution by yourself ... 

Good continuation,
Masayoshi

From: g0203654@nus.edu.sg
Subject: [abinit-forum] problem of phonon calculation on metals
Date: Sat, 20 Dec 2003 03:31:59 +0100
Message-ID: <sympa.1071887100.14410.939@abinit.org>

> Dear all,
> 
>     When I tried to do phonon calculation on Al, I set 
>      occopt 4
>      tsmear 0.05
>     However, the log file shows me 
>     cgwf3: problem of minimisation (likely metallic), set resid to -1
>     cgwf3: problem of minimisation (likely metallic), set resid to -2.
>     and the calculation does not seem to converge.
> 
>     Is ABINIT code capable of phonon calculation on metals?
>     Hope for your help! Anyone can send me your input files about this 
> matter?
> 
>     Rongqin Wu  from Singapore