Re: [SIESTA-L] Parellelization overview

See, a colleague of mine says she's not seeing a (significant) performance gain while running in parallel (10 or so nodes) with respect to the serial case. The performance is noticable when using larger supercells. The larger cell is the bigger is the performance with respect to serial

[SIESTA-L] LDA+U

hello sir, I am PhD student in India. I am doing some electonic and phonon calculation in lanthanium group compunds (CeSb, PrSb, NdSb etc). As these compuonds are highly co-orelated so simple LDA or LSDA is not giving you good results. As i checked in an article of Stefano Sanvito Different