[SIESTA-L] Spin polarized calculation

2018-09-24 Por tôpico Sunetra Das
Dear siesta experts, Please help me clarify a confusion, as I am unable to clear my doubt from the manual. I am using siesta 4.0 version. I want to study the effect of doping on a non-magnetic system. I have carried out spin polazied calculation on the pristine system and the resulting total magn

Re: [SIESTA-L] Problem in tin dioxide Semi-core calculation

2018-09-24 Por tôpico Mohammadali Eslamian
Dear Emilio, Thank you very much for your help, it is solved. Good opportunity to thanks also for your helpful presentation at http://video.tau.ac.il/events/index.php?option=com_k2&view=item&id=5128:basis-sets-for-siesta On Fri, Sep 21, 2018 at 12:30 AM Emilio Artacho wrote: > Dear Mohammadali