Re: [Wien] how to cut a surface

Dear Fedor,There is a very nice utility in WIEN2k, i.e., structeditor as provided by Robert Laskowski, which can be used not only for making supercell, but also for surface, and many other helpful relevant things. For more information, you would look for structeditor in the usersguide,

[Wien] how to cut a surface

Hi, Are there any utils in WIEN package for supercell creation? I'm interested not just to enlarge the unit cell, but also to rotate it and cut a surface along some direction. For example, I take a unit cell of wurzite SiC and want to create a surface with [10-10] orientation. Another question

Re: [Wien] how to cut a surface

There is a structeditor package provided with wien2k which is capable of performing these tasks. It uses the open source matlab equivalent octave and allows you to script the generation of surfaces (this can be useful when you want to generate many labs with different slab or vacuum thickness

Re: [Wien] how to cut a surface

Hi, You may want to try VESTA: http://jp-minerals.org/vesta/en/ Regards Pascal Le 25 juin 2015 à 09:11, Fedor Bystrenko fedor.bystre...@mail.ru a écrit : Hi, Are there any utils in WIEN package for supercell creation? I'm interested not just to enlarge the unit cell, but also to rotate it