QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: medeepak on August 11, 2011, 12:21

Title: a small doubt in TranSIESTA
Post by: medeepak on August 11, 2011, 12:21

Hi

sorry for starting it here but since i could not get help anywhere else about it i thought of asking it here as VNL is also based on SIESTA/TranSIESTA


ts_iohs: BAD DIMENSIONS
and then run terminates

what is this error
it comes just after it starts to read the left electrode dimensions

i found that a file called ts_iohs.h is generated

it contains:

C Dimensions for input to ts_iohs
   parameter (nspin = 1499993)


i checked the buffer atoms no and all and it seems right

what exactly is this TSiohs (i found files going by that name in TBTrans directory)

please help
deepak

Title: Re: a small doubt in TranSIESTA
Post by: zh on August 11, 2011, 15:08

Your problem may be related to the new version of SIESTA/TranSIESTA, so you had better post your question on the maillist of SIESTA in order to get some helps.

Title: Re: a small doubt in TranSIESTA
Post by: kstokbro on August 11, 2011, 15:14

Let me note that the ATK/VNL is not based on SIESTA/Transiesta.
The ATK uses rather different algorithms for describing the electronic structure of open systems, and this is why ATK is faster, more reliable and shows better convergence than any other Quantum transport implementation. Technical details are available from our website.

We cannot help with solving bugs in other packages, however, we will be happy to help with any question regarding our own software.
As you might note on the forum, these questions are very rarely related to bugs or convergence problems.