[Pw_forum] from card_kpoints : error # 1
Elie Moujaes
elie.moujaes at hotmail.co.uk
Tue Mar 2 18:42:33 CET 2010
Thanks for thr reply but is still not working..I tried
K_POINTS automatic
50 50 1 0 0 0
But the graph I get doesnt contain many points and it looks disconnected and not anywhere close to the real band structure. I am not sure if increasing the grid dimensions further would do any good.
regards
Date: Tue, 2 Mar 2010 23:05:13 +0530
From: udayagiri3 at gmail.com
To: pw_forum at pwscf.org
Subject: Re: [Pw_forum] from card_kpoints : error # 1
try out this K_POINTS {crystal}
instead of K_POINTS crystal
On Tue, Mar 2, 2010 at 10:37 PM, Elie Moujaes <elie.moujaes at hotmail.co.uk> wrote:
Dear all,
I am running a program to get the band structure fro graphene and I am giving the K-POINTS in crystal type..i have got 101 points but when I run the program I get :
from card_kpoints : error # 1
error or end of file while reading crystal k points
The points are:
K_POINTS crystal
101
0.00000 0.00000 0.00000 1
0.01000 0.01000 0.00000 1
0.02000 0.02000 0.00000 1
0.03000 0.03000 0.00000 1
0.04000 0.04000 0.00000 1
0.05000 0.05000 0.00000 1
0.06000 0.06000 0.00000 1
0.07000 0.07000 0.00000 1
0.08000 0.08000 0.00000 1
0.09000 0.09000 0.00000 1
0.10000 0.10000 0.00000 1
0.11000 0.11000 0.00000 1
0.12000 0.12000 0.00000 1
0.13000 0.13000 0.00000 1
0.14000 0.14000 0.00000 1
0.15000 0.15000 0.00000 1
0.16000 0.16000 0.00000 1
0.17000 0.17000 0.00000 1
0.18000 0.18000 0.00000 1
0.19000 0.19000 0.00000 1
0.20000 0.20000 0.00000 1
0.21000 0.21000 0.00000 1
0.22000 0.22000 0.00000 1
0.23000 0.23000 0.00000 1
0.24000 0.24000 0.00000 1
0.25000 0.25000 0.00000 1
0.26000 0.26000 0.00000 1
0.27000 0.27000 0.00000 1
0.28000 0.28000 0.00000 1
0.29000 0.29000 0.00000 1
0.30000 0.30000 0.00000 1
0.31000 0.31000 0.00000 1
0.32000 0.32000 0.00000 1
0.33000 0.33000 0.00000 1
0.34000 0.34000 0.00000 1
0.35000 0.35000 0.00000 1
0.36000 0.36000 0.00000 1
0.37000 0.37000 0.00000 1
0.38000 0.38000 0.00000 1
0.39000 0.39000 0.00000 1
0.40000 0.40000 0.00000 1
0.41000 0.41000 0.00000 1
0.42000 0.42000 0.00000 1
0.43000 0.43000 0.00000 1
0.44000 0.44000 0.00000 1
0.45000 0.45000 0.00000 1
0.46000 0.46000 0.00000 1
0.47000 0.47000 0.00000 1
0.48000 0.48000 0.00000 1
0.49000 0.49000 0.00000 1
0.50000 0.50000 0.00000 1
0.50000 0.50000 0.00000 1
0.49000 0.00000 0.00000 1
0.48000 0.00000 0.00000 1
0.47000 0.00000 0.00000 1
0.46000 0.00000 0.00000 1
0.45000 0.00000 0.00000 1
0.44000 0.00000 0.00000 1
0.43000 0.00000 0.00000 1
0.42000 0.00000 0.00000 1
0.41000 0.00000 0.00000 1
0.40000 0.00000 0.00000 1
0.39000 0.00000 0.00000 1
0.38000 0.00000 0.00000 1
0.37000 0.00000 0.00000 1
0.36000 0.00000 0.00000 1
0.35000 0.00000 0.00000 1
0.34000 0.00000 0.00000 1
0.33000 0.00000 0.00000 1
0.32000 0.00000 0.00000 1
0.31000 0.00000 0.00000 1
0.30000 0.00000 0.00000 1
0.29000 0.00000 0.00000 1
0.28000 0.00000 0.00000 1
0.27000 0.00000 0.00000 1
0.26000 0.00000 0.00000 1
0.25000 0.00000 0.00000 1
0.24000 0.00000 0.00000 1
0.23000 0.00000 0.00000 1
0.22000 0.00000 0.00000 1
0.21000 0.00000 0.00000 1
0.20000 0.00000 0.00000 1
0.19000 0.00000 0.00000 1
0.18000 0.00000 0.00000 1
0.17000 0.00000 0.00000 1
0.16000 0.00000 0.00000 1
0.15000 0.00000 0.00000 1
0.14000 0.00000 0.00000 1
0.13000 0.00000 0.00000 1
0.12000 0.00000 0.00000 1
0.11000 0.00000 0.00000 1
0.10000 0.00000 0.00000 1
0.09000 0.00000 0.00000 1
0.08000 0.00000 0.00000 1
0.07000 0.00000 0.00000 1
0.06000 0.00000 0.00000 1
0.05000 0.00000 0.00000 1
0.04000 0.00000 0.00000 1
0.03000 0.00000 0.00000 1
0.02000 0.00000 0.00000 1
0.01000 0.00000 0.00000 1
What could have gone wrong? Thankss
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