Dear Siesta Users I am trying to run simple transiesta example given @ http://departments.icmab.es/leem/siesta/tlv14/
While running the carbon chain example, tbtrans give the following error ERROR: Unexpected no. orbs. in L elec. Stopping Program from Node: 0 Program aborted. Backtrace: ERROR: lastoL,NGL2 0 52 ERROR: Unexpected no. orbs. in L elec. Stopping Program from Node: 0 #0 0x7FEC88DA7777 #1 0x7FEC88DA8EC2 #2 0x7FEC88E75B58 #3 0x41205A in pxfabort_ at pxf.F90:86 #4 0x42842A in tbtrans at tbtrans.F:479 I am using default values of basis set and my left and right electrode are same (Attached electrode file : elec.fdf and carbon atom chain : chain.fdf). Please provide me the appropriate solution, any response will be highly appreciated. Thank You in advance. With Regards Rajan Singh
elec.fdf
Description: Binary data
chain.fdf
Description: Binary data
