[Wien] help required

[arqum hashmi]

Dear users


i am runing one system spin polarized calculation with 50 atoms in unit cell and after initialization. i start scf calculation with energy and charge convergence criteria 0.0001.

after that when i checked energy convergence it gives me this output

hashumi at spin4:/data2/hashumi/WIEN2k/surface> grep :ENE surface.scf
:ENE  : ********** TOTAL ENERGY IN Ry =       -55315.67384248
:ENE  : ********** TOTAL ENERGY IN Ry =       -55314.24034583
:ENE  : ********** TOTAL ENERGY IN Ry =       -55314.52132919
:ENE  : ********** TOTAL ENERGY IN Ry =       -55316.48345901
:ENE  : ********** TOTAL ENERGY IN Ry =       -55432.05989024
:ENE  : ********** TOTAL ENERGY IN Ry =       -55430.52242887
:ENE  : ********** TOTAL ENERGY IN Ry =       -55428.57990260
:ENE  : ********** TOTAL ENERGY IN Ry =       -55437.52596792
:ENE  : ********** TOTAL ENERGY IN Ry =       -55426.85161714
:ENE  : ********** TOTAL ENERGY IN Ry =       -55427.41590069
:ENE  : ********** TOTAL ENERGY IN Ry =       -55427.38273416
:ENE  : ********** TOTAL ENERGY IN Ry =       -55426.92578091
:ENE  : ********** TOTAL ENERGY IN Ry =       -55428.42583421
:ENE  : ********** TOTAL ENERGY IN Ry =       -55427.66314614
:ENE  : ********** TOTAL ENERGY IN Ry =       -55427.05242747
:ENE  : *WARNING** TOTAL ENERGY IN Ry =       -55427.40781306
:ENE  : ********** TOTAL ENERGY IN Ry =       -55426.86950455
:ENE  : ********** TOTAL ENERGY IN Ry =       -55426.85763062
:ENE  : ********** TOTAL ENERGY IN Ry =       -55426.94293458
:ENE  : ********** TOTAL ENERGY IN Ry =       -55426.83774846
:ENE  : ********** TOTAL ENERGY IN Ry =       -55428.34704833
 

My question is this in energy convergence why it indicate warning and what is the meaning of this warning.

i will be very grateful to you.

Best Regards
Arqum Hashmi
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