Dear all, May anyone tell me how to convert the fractional format to vasp POSCAR format?
What I am trying to do is to build supercells using avogadro for vasp calculation. But seems that the most matching format of POSCAR that avogadro can offer is fractional format, therefore I have to convert fractional format to POSCAR format. Please help me, any instruction is much appreciated! Sincerely, Murphy -- View this message in context: http://forums.openbabel.org/How-to-convert-fractional-format-to-POSCAR-tp4656213.html Sent from the General discussion mailing list archive at Nabble.com. ------------------------------------------------------------------------------ Precog is a next-generation analytics platform capable of advanced analytics on semi-structured data. The platform includes APIs for building apps and a phenomenal toolset for data science. Developers can use our toolset for easy data analysis & visualization. Get a free account! http://www2.precog.com/precogplatform/slashdotnewsletter _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
