Dear Abraham Hmiel,
Thanks for your help!
Besides, I have another problem in running SIESTA new version
'siesta-trunk-411', when submit a siesta work, the output file give the warning
"Writing Wavefunction: parameter Maxk too small", So how I can change the
parameter 'Maxk' ? Thanks again.
Best,
--
Liu
At 2012-11-05 19:33:31,"Abraham Hmiel" <[email protected]> wrote:
Liu,
Try increasing the value of the 'maxb' parameter in gnubands.f, (increasing
from 100 to something like 5000) and then re-compiling gnubands.f and then
trying it again.
Best,
On Mon, Nov 5, 2012 at 6:15 AM, liuyunlong0902 <[email protected]> wrote:
Dear all,
I have difficulty in post-processing the energy band. When the generated
'*.bands' file is handled by 'gnubands', warning is that 'Dimensions in
gnubands too small'. Would anyone help me solve the problem?
Regards,
---
Liu
--
Abraham Hmiel
Katherine Belz Groves Fellow in Nanoscience
Xue Group, College of Nanoscale Science and Engineering at SUNY Albany
http://abehmiel.net/about
