No requirements, although it is for pairhess (not the PORT minimizer). If you have already made a lot of progress with a given structure it is probably not work using, but if you are starting from scratch if probably would be.
On Wed, Sep 2, 2009 at 5:38 PM, Sergio Yanuen Rodriguez<srodriguez at physics.tamu.edu> wrote: > Dear Laurence > > I am doing some clathrates minimizations which takes some time, I can try > your beta version. Is there any specific requirements like WIEN2k version? > > Sergio Y. Rodriguez > Physics Department > Texas A&M University > >> I am looking for some beta testers for a slightly different form of >> pairhess; should be faster for minimization. Any volunteers? >> >> -- >> Laurence Marks >> Department of Materials Science and Engineering >> MSE Rm 2036 Cook Hall >> 2220 N Campus Drive >> Northwestern University >> Evanston, IL 60208, USA >> Tel: (847) 491-3996 Fax: (847) 491-7820 >> email: L-marks at northwestern dot edu >> Web: www.numis.northwestern.edu >> Chair, Commission on Electron Crystallography of IUCR >> www.numis.northwestern.edu/ >> Electron crystallography is the branch of science that uses electron >> scattering to study the structure of matter. >> _______________________________________________ >> Wien mailing list >> Wien at zeus.theochem.tuwien.ac.at >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >> >> > > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > -- Laurence Marks Department of Materials Science and Engineering MSE Rm 2036 Cook Hall 2220 N Campus Drive Northwestern University Evanston, IL 60208, USA Tel: (847) 491-3996 Fax: (847) 491-7820 email: L-marks at northwestern dot edu Web: www.numis.northwestern.edu Chair, Commission on Electron Crystallography of IUCR www.numis.northwestern.edu/ Electron crystallography is the branch of science that uses electron scattering to study the structure of matter.