Dear Transiesta user:
I have one question about the calculation of Transiesta. I am using
Transiesta to calculate the transmission in nanowires. I am not sure about the
optimization of the scattering region using
siesta or transiesta. Since if I use siesta to optimize the scattering region,
the results are not correct and if I use the Transiesta to optimize the
scattering region, it can not converge . Could
anybody help me?
Thanks in advance.
Lihong
From: Guangping Zhang [mailto:[email protected]]
Sent: Sunday, November 07, 2010 11:47 AM
To: [email protected]
Subject: [SIESTA-L] How can Transiesta reuse the DM of a former task
Dear siesta users and developers:
TranSiesta can use an existing TSDE file and continue the calculation.
How can let TranSiesta use an exising DM file and continue the
calculation,since this is also useful in some special situation,e.g.the code
stops after the DM convergence because some wrong input items.
Any advice is welcome.
Thanks in advance.
2010-11-07
________________________________
Guangping Zhang
