You are running this in serial, correct? It's hard to debug without knowing the specifics of your problem. But off the top of my head, if you have a large system, you might be stuck in the TBT calculation before time runs out. You can try restricting the TBT.Emin/TBT.Emax range or reducing the number of points TBT.NPoints. Or you could go as far as reducing your basis size or overall size of the system.
Alex On Thu, Nov 7, 2013 at 4:02 PM, Francisco Wellery Nunes Silva < [email protected]> wrote: > Dear SIESTA users, > > Somebody knows why TBTrans stops in > > Starting K-Point loop for spin: 1 > > and never gos beyond, without any error message? > > Thanks ! > -- > > ******************************************* > Francisco Wellery Nunes Silva. > ******************************************* > Skype >> silvafwn > *Ph.D*. *student at,* > Universidade Federal do Ceará (UFC), > Block 928, Ground Floor, Room -- 02 > Caixa Postal 6030 ( Mail-Box 6030 ) > C.E.P -- 60.455-900 > Fortaleza - Ceará – Brasil > ******************************************* > -- *Alexander J. Pak* Graduate Research Assistant - The Hwang Group Department of Chemical Engineering Cockrell School of Engineering The University of Texas at Austin 1 University Station, C0400 Austin, Texas 78712 CPE 4.422 | O: (512) 471-1839 M: (917) 637-0413 | [email protected] <[email protected]>
