The ABINIT Users Mailing List ( CLOSED )

[Fei Lin <feilin@uiuc.edu>]

Hi,

I try to do conductivity calculation with ABINIT. The example input file 
t78.in uses kptopt=0, but I want to use more k points in the BZ. So I try 
the following parameters:

 kptopt 2
 ngkpt 2 2 2
 nshiftk 1
 shiftk  0.5  0.5  0.5
 wtk 1.0

After this calculation, I run ./conducti with the "t79.in" file, which 
generate the following error:

forrtl: severe (59): list-directed I/O syntax error, unit 15, file 
/home/feilin/abinitbin-5.2.3/tests/v3/Input/al/t79.in


I have no idea what goes wrong here. How can I use more than one k points 
in the conductivity calculation?

Thanks,
Fei Lin