[gpaw-users] problem of electronic convergence

Vladislav Ivanistsev olunet at gmail.com
Thu Jan 17 13:51:02 CET 2013


Dear Ask,
a while ago you have "magically" resolved a problem of electronic
convergence in BN or Graphene slab. I'm also having a problem with
convergence for several systems. One is attached. Could you please take a
look and provide some explanation on how to converge similar calculations.
I'm using GPAW 0.9

Many thanks,
Vladislav
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://listserv.fysik.dtu.dk/pipermail/gpaw-users/attachments/20130117/9486a927/attachment.html 
-------------- next part --------------
A non-text attachment was scrubbed...
Name: biimtf.py
Type: application/octet-stream
Size: 1087 bytes
Desc: not available
Url : http://listserv.fysik.dtu.dk/pipermail/gpaw-users/attachments/20130117/9486a927/attachment.obj 
-------------- next part --------------
A non-text attachment was scrubbed...
Name: biimtf.xyz
Type: chemical/x-pdb
Size: 2547 bytes
Desc: not available
Url : http://listserv.fysik.dtu.dk/pipermail/gpaw-users/attachments/20130117/9486a927/attachment.pdb 


More information about the gpaw-users mailing list