[SIESTA-L] can not do OrderN with K-points

2009-11-10 Por tôpico sonu kumar
hi dear all, i am doing a FC run over a system with 189 atoms in the unit cell (formed by making use of Supercell). but i got the error.probably bcoz of memory? can anybody help me.? last part of my output file is: siesta: ==

Re: [SIESTA-L] TBTrans : input statement requires too much data ?????????????????

2009-11-10 Por tôpico Christian helman
Hello! I've got the same error. The problem is that the variable that save the directory is not large enough , so I recommend you that copy the file to the working directory and only put the file name, for example "./scat.fast.TSHS", it works for me. bye 2009/11/10 Vihar Georgiev : > Dear all,  

[SIESTA-L] TBTrans : input statement requires too much data ?????????????????

2009-11-10 Por tôpico Vihar Georgiev
Dear all, I am really interested in electronic transport properties in molecules. Therefore the new implementation - TransSiesta is really useful for me. For this reason I started with the test calculations in : Test/transiesta/Fast So far so good the TranSiesta is working. After this I wa