[Pw_forum] Getting value of mixing_beta
Ganjar Kurniawan
zargan88 at yahoo.com
Fri Jan 31 17:00:09 CET 2014
Dear QE users
I have doing vc-relax process of my system, when SCF process, the
calculation is not converge after all. I think the problem is on the
mixing-beta value. (input and output file are attached)
my question is how to get the suitable value of mixing_beta for mine or any system without doing try and error calculation???
any response is greatly appreciated
Ganjar Kurniawan
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20140131/28633e54/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: vc-relax2.in
Type: application/octet-stream
Size: 2956 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20140131/28633e54/attachment.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: vc-relax2.out
Type: application/octet-stream
Size: 49759 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20140131/28633e54/attachment-0001.obj>
More information about the users
mailing list