[Wannier] error running GaAs case!

Nandan Tandon nandan.tandon at gmail.com
Thu Jun 30 22:11:15 CEST 2011


Hi,

I am newbie with the Wannier90 code.

The example01 for GaAs runs successfully and the four MLWF files are created.

In the situation where i run an SCF calculation with PWSCF and then
use Wannier90
to create the MLWF, i end up with an error:
"At line 824 of file plot.F90
Fortran runtime error: Bad integer for item 1 in list input".

During the same calculation i am able to plot the bandstructure to reproduce the
highest valence band levels but the xsf files are not created.

I find no difference between the input parameters in between the two
files 1. example01
file gaas.win and 2. my gaas.win file.

This i believe is somewhat trivial because i find the same error while
doing a calculation
for Si.

I should add that since i want to use EPW eventually, i am using the
W90 code from
the espresso-4.0.3 version.

Thanks in advance,

Regards,

Nandan.

-- 
***********************************************************************************************
Nandan Tandon
Department of Physics,
Worcester Polytechnic Institute,
100 Institute Road,
Worcester, MA
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