[CP2K-user] Cholesky decompose failed

[Nimali Rathnayake]

Dear All,

I am running a system with CP2K. When I was using QZV2P basis set and the
simulation crashed with the following error: I am running this geometry
optimization calculation for 1 layer graphene layer, which has the 3.35A
d-space.

Cholesky decompose failed: the matrix is not positive definite or
                         ill-conditioned.


  fm/cp_fm_cholesky.F:94

I am wondering what would be the reason for this error message.

I am very thankful, if you can help me to solve this

The input and output files are attached.
-- 
Thank you,

Best Regards,

Nimali
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20190511/ef96486d/attachment.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: 1LG.inp
Type: application/octet-stream
Size: 4201 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20190511/ef96486d/attachment.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: 1LG.out
Type: application/octet-stream
Size: 64859 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20190511/ef96486d/attachment-0001.obj>