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