Dear Muthu V. AFAIK TiO2 is diamagnetic... What exactly are you trying to calculate?
Yours Giuseppe On Thursday 09 January 2014 12:24:56 Muthu V wrote: > Dear QE Users > > i plane to calculate magnetic moment for SrTiO3 and TiO2. but i don?t > know how to do this. i searched it qe forum and after that i tried to scf > run for TiO2 system without and with magnetic field. but i don?t know > whether this is correct or > > can you help me in this reg., ie where i can get details about it > > Thank you > > *_________________________* > > > > *Muthu.VMadurai Kamaraj University__________________________* ******************************************************** - Article premier - Les hommes naissent et demeurent libres et ?gaux en droits. Les distinctions sociales ne peuvent ?tre fond?es que sur l'utilit? commune - Article 2 - Le but de toute association politique est la conservation des droits naturels et imprescriptibles de l'homme. Ces droits sont la libert?, la propri?t?, la s?ret? et la r?sistance ? 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: <giuseppe.mattioli at ism.cnr.it> ResearcherID: F-6308-2012
