[Pw_forum] Help me with the Band Structure Calculation
yccheng.nju
yccheng.nju at gmail.com
Mon Feb 23 08:21:06 CET 2009
You should set all number to "1" in the fourth column in kpoints. You have 311 K points, why you just give 5 in the input file. The error message have told you what your problem is !
2009-02-23
yccheng.nju
发件人: 潘登
发送时间: 2009-02-23 15:14:13
收件人: PWSCF Forum
抄送:
主题: Re: [Pw_forum] Help me with the Band Structure Calculation
Dear yccheng.nju and nazari,
I have tried to change to what you had suggested. But the error
happens still, and the message unchange:
from card_kpoints : error # 1
error or end of file while reading tpiba k points
And for nazari, I did have 311 k points but I just gave five of them
and ommitted the others.
Thanks for two of you, but I do not know where the problem is. Please help me.
Have a nice day
Pan Deng
Nanjing University
_______________________________________________
Pw_forum mailing list
Pw_forum at pwscf.org
http://www.democritos.it/mailman/listinfo/pw_forum
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20090223/d4fd507a/attachment.html>
More information about the users
mailing list