[Pw_forum] help

2013-07-02 Thread samad zare
hello to all i want simulate thin film is there any body to give me a sample about generate thin film structure? -- With Best Regards SAMAD ZARE, phD Student UTM university Nanotechnology Research Alliance APSI, UTM 81310, Skudai,Johor Bahru, Malaysia -- next part -- An

[Pw_forum] (no subject)

2013-06-03 Thread samad zare
As a beginners,i need some basic guidelines to build the thin film structure file. So, i am requesting some one to provide the preliminary details to do so. What are all the changes in structure file from bulk to thin films ???* * Thanks in advance -- With Best Regards SAMAD ZARE, phD Studen

[Pw_forum] made nanowire

2012-04-08 Thread samad zare
dear all pwscf user i want simulation nanowires by pwscf how can do it? i know we must made supercell how to made supercell? -- With Best Regards SAMAD ZARE, phD Student UTM university Nanotechnology Research Alliance APSI, UTM 81310, Skudai,Johor Bahru, Malaysia -- next part

[Pw_forum] run pwgui

2012-03-03 Thread samad zare
quot;uplevel" body line 1) invoked from within "uplevel #0 [list $w invoke active]" (procedure "tk::MenuInvoke" line 50) invoked from within "tk::MenuInvoke .gui0.shellchildsite.menubar.menubar.run.menu 1" (command bound to event) thank --

[Pw_forum] lattice parameter ingap

2012-02-17 Thread samad zare
hello i want work with pwscf about ingap nanowire but i can not find lattice parameter ingap where and what i can find this lattice parameter thanks -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120217/b1e

[Pw_forum] WIEN2k interface

2009-06-30 Thread samad zare
hello i have a question is differed figures in pwscf and win2k? i want use output (figure band energy and.)win2k LIEu pwscf thankyou On 6/30/09, Lex Kemper wrote: > > Hey everyone, > > I want to use a piece of code that is written to take energies, kpoints, > and structures from wien2k. Whi

[Pw_forum] please help quick

2009-06-18 Thread samad zare
hello please help me quick i want all of curve for tio2 rutile curve energy- volume curve band energy curve density curve energy up spin calculation phonon -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090