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: [email protected] 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 Not got a Hotmail account? Sign-up now - Free _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum -- U.Saibabu PhD student, Deformation mechanisms modeling group, Materials engineering department, IISc Bangalore, India. _________________________________________________________________ Do you have a story that started on Hotmail? Tell us now http://clk.atdmt.com/UKM/go/195013117/direct/01/ -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100302/60b34405/attachment-0001.htm
