The ABINIT Users Mailing List ( CLOSED )

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

Dear all:

Please let me reiterate several points (maybe the last time):

1) e-mail should be SPECIFIC and CONCISE:
   The cited e-mail seems a typical example of such post 
   "No specific inputs and No outputs", unfortunately,
   that may lead to No specific responses as a result: 
     http://www.abinit.org/ABINIT/Infos/FAQ.html#NoResponce
   It would be a good idea to check the result of "pswatch" 
   as well as the the bandstructure to see if the results 
   appear plausible or not...
   It would also be a good idea to read the previous works
   befor you try with literature survey. 
  (this skill, as a part of the self-learning skill, also helps!) 
   He/she might want to read the original paper about 
   the GHOST states with an example of GaAs, by Prof. Gonze...
  (The paper can be found in the FHI98PP review cited in my post.)

2) Here is the ABINIT ML, so I just cite my privous post
   (*) http://www.abinit.org/wws/arc/forum/2004-08/msg00009.html
   and take ENOUGH time to help yourself ... 
   Why don't we enjoy earning the skill of self-learning ? 
   (NB: my previous post (*) had typo (remove one "not"); 
   "No pains, no gains... Let us enjoy self-learning !
   (just in case no one could help due to some reasons, 
   e.g. on vacation, unfortunately ...)"

3) Please stick to Plain text format.
   The side effect of the HTML mail can be confirmed:
   http://www.abinit.org/wws/arc/forum/2004-08/msg00020.html
   When one see the page with Mozilla(1.2)/Netscape(4.7) on Linux, 
   it is hard to read such tiny characters at first glance. 
   No problem will not arise with Plain-Text-format.
   How to post in plain text format was described :
     http://www.abinit.org/wws/arc/forum/2004-07/msg00101.html
   We may have the netiquette list sooner or later...
 (Once it is available, we will not need this kind of post ...)

Have a nice day,
Masayoshi

On Sun, 8 Aug 2004 01:17:35 +0800
"Wu Rongqin" <g0203654@nus.edu.sg> wrote:

> Dear all,
> I tried to generate some pps with fhi98pp. because the pps downloaded
> from the website have a large ecut to converge in the calculation, I
> wonder whether there is a way to reduce the ecut in fhi98pp?
> For Ga pp, I generated the pp and used to do calculation for GaAs. I
> found that the lattice constant is nearly, but less than, 3% smaller
> than that of experimental value. Is this acceptable? I added partial
> core correction in the pp generation.
> Regards
> Rongqin