#12 new defect

JD algorithm fails on h2o32

Reported by: fgygi Owned by: fgygi
Priority: major Milestone:
Component: Qbox Version: 1.63.4
Keywords: Cc:


The wf_dyn = JD algorithm fails to converge in a ground state calculation of the h2o32 sample when using run 0 200.
Using run 0 200 1 converges.

Attachments (2)

gs_jd.i (93 bytes) - added by fgygi at 2016-08-10T16:43:01Z.
input file
h2o32_300K.sys (9.1 KB) - added by fgygi at 2016-08-10T16:43:39Z.
h2o32 input file

Download all attachments as: .zip

Change History (2)

Changed at 2016-08-10T16:43:01Z by fgygi

input file

Changed at 2016-08-10T16:43:39Z by fgygi

h2o32 input file

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