[CP2K-user] NEB Band Convergence Issues

[Kamalpreet Singh]

Hi guys,

I am trying to run some NEB calculations but, it doesn't seem to want to 
run. CP2K can't even generate the interpolated images. It seems to be stuck 
on certain bands which typically the starting few. I am trying to run the 
calculations with 4 images and I tried increasing the nodes. Any 
advice/help would be greatly appreciated. I have attached my parameters and 
some pictures of the file output from the calculation. 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20200722/0b1144a8/attachment.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: neb_calc_1.png
Type: image/png
Size: 36870 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20200722/0b1144a8/attachment.png>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: neb_calc_2.png
Type: image/png
Size: 35929 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20200722/0b1144a8/attachment-0001.png>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: NEB_param.png
Type: image/png
Size: 23954 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20200722/0b1144a8/attachment-0002.png>