If you have copied and pasted it from the input file, then there is. It should read
BandLinesScale ReciprocalLatticeVectors instead of BandLinesScale ReciprocalLatticeVector Not sure it would be the cause of your error, though. Marcos On Tue, Jan 26, 2010 at 7:22 PM, <[email protected]> wrote: > Hi all > I am calculating the band structure for crystalline polymer. I am > interested to calculated it along b and c axis. For this, I use the next > labels in the input file: > > WriteBands true > > BandLinesScale ReciprocalLatticeVector > %block Bandlines > 1 0.0 0.5 0.0 X > 40 0.0 0.0 0.0 \Gamma > 40 0.0 0.0 0.5 X' > %endblock Bandlines > > The job finishes withoout problems. > Then, I use gnubands, but I obtain 0.000000 in the first column. I add a > some piece of gnubands output file: > 0.000000 10.427000 > 0.000000 10.427000 > 0.000000 10.427000 > 0.000000 10.427000 > 0.000000 10.427000 > 0.000000 10.427000 > ..... > .... > The first columns always are 0.0 > > I have checked my input file, but I haven't found errors. > > Thanks in advance. >
