[CP2K-user] Density of State Calculation for graphite (DOS)

[Nimali Rathnayake]

Dear Developers,

I am trying to do DOS calculations for graphite with d-space 3.35 angstrom
and this has 6 layers.

However, It gave a error which shows below.


 *******************************************************************************
 *   ___
    *
 *  /   \
   *
 * [ABORT]
    *
 *  \___/    Cholesky decompose failed: the matrix is not positive definite
or *
 *    |                              ill-conditioned.
   *
 *  O/|
   *
 * /| |
   *
 * / \
 fm/cp_fm_cholesky.F:94 *
 *******************************************************************************

Herewith, I have attached my input file for your reference. Can anyone
explain me the reason for this error and suggest a solution to solve this
problem?

I am very grateful for your help.
-- 
Thank you,

Best Regards,

Nimali
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