Thank you very much Guangping. I used rc2 and it worked. I have 2 more questions
1) in rc2, the transmission is doubled in case of a system which has no spin polarization. How about TDOS and PDOS? Are they doubled or do they dont change? 2) I get this error "FAILED inversion in Pulayx" when i try to do Transiesta. What are the ways in which i can make sure that the inversion does not fail? It will be of great help if I could get answers to these questions Ram On Tue, Apr 19, 2011 at 8:06 AM, Guangping Zhang <[email protected]> wrote: > Hi,Ram > Try to use 3.0-rc2 or 3.0-beta. On my computer, both of them run fine. > Maybe there is a bug in 3.0-rc1 in using SuperCell block, I am not sure. I > do not use 3.0-rc1. > > Guangping > > > 2011-04-19 > ------------------------------ > Guangping Zhang > ------------------------------ > 发件人: janakiraman balachandran <[email protected]> > 发送时间: 2011-04-19 19:41 > 主 题: [SIESTA-L] Transiesta example in rc1 > 收件人: [email protected] > > > Dear All > > Has anyone managed to run the below mentioned Transiesta example in siesta > 3.0 rc1? > > http://wiki.tstutorial.dreamhosters.com/wiki/Fast > > > I'm trying to run it. The electrode part runs fine but when i run the > scattering part, it says > > * *Warning: TSDM read from file has a different size* > > And the scf fails to converge. What is actually wrong in the input? I'm > trying to figure out but i could not understand > > Regards > Ram >
