Re: [SIESTA-L] Calculated Gold resistivity

2010-04-30 Por tôpico ambavale sagar
>Sorry about the long explanation, Dear Jose, THANK YOU VERY MUCH FOR SUCH A DESCRIPTIVE ANSWER. KEEP IT UP. (if it does not consume much of your precious time) This post are very useful to us. They are like summary of some review articles... Thanks again. Sagar Ambavale The M.S. University of

Re: [SIESTA-L] Calculated Gold resistivity

2010-04-30 Por tôpico acandle120
Dear Jose, I appreciate your kind explanation. It was really helpful to understand the system. Regards, Kyoung Quoting "Jose A. Torres" : Dear Kyoung: When it comes to I-V characteristics of molecular size devices, comparisons to experimental results is not straight forward. Even if ther

Re: [SIESTA-L] K-point sampling (armchair and zigzag nano ribbons)

2010-04-30 Por tôpico Artem Baskin
Dear Marcos, I am not sure if I understood you correctly, but I checked my calculation with graphene (with options that you indicated) and I did not get any changes. The convergence is still reached very fast and the final Pressure is 0.4 GPa. Just to be on save side, I would like you to glance at

Re: [SIESTA-L] Calculated Gold resistivity

2010-04-30 Por tôpico Jose A. Torres
Dear Kyoung: When it comes to I-V characteristics of molecular size devices, comparisons to experimental results is not straight forward. Even if there is only ballistic transport in the experimental device (which is so for metallic point contacts and low biases to a 99% accuracy), there are man

Re: [SIESTA-L] Siesta Transiesta NanoLab

2010-04-30 Por tôpico akbar jahangiri
Thank you very Much Best regards On Fri, Apr 30, 2010 at 12:58 PM, eb na wrote: > Dear akbar, > > if you mean the virtual nano lab from quantumwise, it is very similar to > the SIesta. You can make DFT calculation as well as transport calculation > like Transiesta. However the code is commercia

AW: [SIESTA-L] Siesta Transiesta NanoLab

2010-04-30 Por tôpico eb na
Dear akbar, if you mean the virtual nano lab from quantumwise, it is very similar to the SIesta. You can make DFT calculation as well as transport calculation like Transiesta. However the code is commercial and not open source. regards, --- akbar jahangiri schrieb am Fr, 30.4.2010: Von: akba

[SIESTA-L] Siesta Transiesta NanoLab

2010-04-30 Por tôpico akbar jahangiri
Dear Users and Developers Does anyone perhaps know whether NANO_LAB (which is a package for simulation) contains Transiesta or Siesta ? Best regards Akbar