[Pw_forum] about the creation of supercell with different tails

[patriot pershing]

dear
firstly, thank you for attention to my message,
for the input file i have prepared the input file for ZnS material (wurtzite
structure) using the pwgui '4 version, i have enter the structure parameters
( a and c lattice parameters) as well as the other parameters ( pseudo
potential, cuttoff energy, ;.......etc) and i have visualized the input
structure using xcrysden software and the unit cell is perfectly created,
but the problem is the creation of supercell because i would do DFT
calculation on supercell with differents atom number such as ; 2x2x2 or
3x3x3  but i don't know i should do to realise this using pwgui for this
reason i would ask some help if it is possible.
for the pw.x and ph.x
the line command was:
pw.x <ZnS.scf.in> ZnS.scf.out and the same for phononcalculations but no
thing happen
thank you
best regards

2010/1/28 Ngoc Linh Nguyen <nnlinh at sissa.it>

> Can you specify more detail about input file of your models, and tell us
> how did you run command lines for pw.x and ph.x.
>
> Linh
>
>
> patriot pershing wrote:
> > dear please:
> > i'm a new user of espesso code , i wold do supercell calculations and
> > i haven't arived to create a supercell wih the needed diensions ( ex:
> > 3x3x2) using pwgui for this reason iwould ask if some one can help me.
> > in he other side i have a problem whe i would excute the code or post
> > processing tools using line command ( pw.x <file.in <http://file.in>>
> > file.out or ph.x ..) this doin't work ( but pw.x work using pwgui
> > perfectly)
> > thanks for all
> > ------------------------------------------------------------------------
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