Dear Reza You may try to play with packmol http://www.ime.unicamp.br/~martinez/packmol/ It is designed to generate clever starting points for different kinds of classical MD simulation, but it can be used for your purpose. Remember that it does not deal with single atoms, but I suppose that if you use Si dimers and you balance the extra-dimer target distance and the intra-dimer distance, you can generate your thin amorphous layer. HTH Giuseppe
Giuseppe Mattioli ISM-CNR Italy Quoting reza vatan <[email protected]>: > Dear QE users, > > I want to create a thin amorphous Si layer on the top of a crystalline > silicon terminated with (100) plane. Does any one knows if QE has that > ability. If no, is there any free software for generating those amorphous > structure? > > Any comment and suggestion would be highly appreciated. > > Best, > Reza -- ******************************************************** - Article premier - Les hommes naissent et demeurent libres et ègaux en droits. Les distinctions sociales ne peuvent être fondèes que sur l'utilitè commune - Article 2 - Le but de toute association politique est la conservation des droits naturels et imprescriptibles de l'homme. Ces droits sont la libertè, la propriètè, la sùretè et la rèsistance à l'oppression. ******************************************************** Giuseppe Mattioli CNR - ISTITUTO DI STRUTTURA DELLA MATERIA v. Salaria Km 29,300 - C.P. 10 I 00015 - Monterotondo Stazione (RM) Tel + 39 06 90672836 - Fax +39 06 90672316 E-mail: <[email protected]> _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
