[Pw_forum] Re: Pw_forum digest, Vol 1 #1208 - 1 msg

[lan haiping]

Hi,
if you wanna dig out some useful information related to your question ,
you can try to search with google , refined  keywords with 'pwscf' or
others.

Please read the instructions such as   INPUT files in $espresso/Doc, or
tutorials mentioned in Axel and nicola's last mails.


hope help.

regards,

hai-ping




On 10/30/06, Amit Kumar <amit76.india at gmail.com> wrote:
>
>
>
>   >Why the manual is not as clear as ABINIT in PWSCF????
>
>     because we made the choice to make the code better than the manual,
> rather the
> the other way around ;-)
>
>
>   Respected Users,
>
>   >>>>>>>>>> It's definitely Good  Choice
>   but not the best !!!!! It would be better if the manual and the code -
> both are
>   equally  good.
>   Writing a good manual is not as difficult as  writing  a beutiful code.
>   I think any project asistant can do it.
>   I don't know why in Example directory there are so many simple example
> programs
>   (
>   Al , Ni, Cu, C,
>   Si, etc. etc.)???????? It would be better if there is some simple
> examples and at
>   least one example of
>   some complex material of some difficult structure (i.e. non cubic say
> monoclinic
>   structure).
>   You know there are so many tutorial on how to handle simple cubic
> system.
>   But no (as far as I know) tutorial on how to construct a supercell for a
> monoclin
>   ic structure?????
>   I think my question is not a stupid one. Because I have checked almost
> all the
>   letters of the PWFORUM
>    and almost half of them are just trivial one (like What's the
> difference between
>    alat and bohr??? Is it posiible to include
>    spin in PWSCF????  How to calculate electron phonon coupling using
> PWSCF????? All
>    are very very trivial
>     questions.). What do you people think???????
>     If you think that PWFORUM is only for experts then you can creat
> another forum PW
>    FORUM_for_novice.
>   Because it's very difficult to find out useful informations in the sea
> of trivial questions.
>   I really want to learn how to handle the complicated structures in
> pwscf????
>   More specifically, construct a supercell for non-cubic structures  to
> introduce  A type , G type  and  C type
>   antiferromagnetism in the system.
>   Please don't tell me to ask the Superviser or colleague.
>   Because most of the colleagues just use all the input files given by
> their Supervisers blindly.
>   That's why for a new structure again they have to look for their Guide.
>   I prefer to learn the stuffs myself deriving them, reading books ,
> searching nets etc. etc.
>   I think it would be better if  some experts  give some useful hints for
> difficult problems instead of
>   giving 1000 simple examples  (spoon feeding!!!!!!!!!!).   What do you
> think??????
>   I'll be  highly obliged if you kindly give me some useful references for
> supercell construction.
>
>   By the way, many many thanks for all who gave me a long reply and
> informations about references on the
>   web.
>
>   With best regards,
>   Amit
>
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: /pipermail/attachments/20061030/1d74f970/attachment.htm