Dear Gomes Rocha,

The K-points in the transvers direction for electrodes and the scattering 
region should be exactly the same.

Best


2012-01-20



Guangping Zhang



发件人:Gomes Rocha
发送时间:2011-11-28 23:17
主题:[SIESTA-L] Transiesta problems
收件人:siesta-l
抄送:

Dears, 

I have problems in running transiesta where I find this sort of message: 

 Begin LEFT 
 System Gamma:  F 
 Electrode Gamma:  T 
ts_iohs: Non-TSgamma information not present 
ERROR STOP from Node:    0 

BTW, the compilation of siesta itself seems to be working. 

I tried to find a suggestion on the archives but there was any. 
This error only occurs when I compiled transiesta in parallel 
using the flags (there are specifications set by the high performance 
computer center): 

.SUFFIXES: 
.SUFFIXES: .f .F .o .a .f90 .F90 

SIESTA_ARCH=vuori-mpi-pgi 

FC=mpif90 
FFLAGS=-fast 
FPPFLAGS= -DMPI -DFC_HAVE_ABORT -DCDF -DGRID_DP -DPHI_GRID_SP 
FFLAGS_DEBUG=-g -O0 

In my own machine, I ran serial and it worked. I am trying to obtain 
the transmission of a simple carbon nanoribbon that I also attach 
the fdf file in this email. 

I am already thankful. 

best 

CGRocha 

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