My Community

(I also posted this in bug reports but I guess this isn't a bug per se)

I'm trying to run a supercell with 3.5 unit cells of EuO between Pt; however, it cannot converge electronically. I tried NELM = 40 and 60 and it never settles down:

DAV: 40 -0.198089947766E+03 -0.95444E+00 -0.33487E+01 8838 0.160E+01 0.354E+01
DAV: 41 -0.197155150539E+03 0.93480E+00 -0.17923E+01 8808 0.175E+01 0.309E+01
DAV: 42 -0.198482131167E+03 -0.13270E+01 -0.32881E+01 8982 0.160E+01 0.348E+01
DAV: 43 -0.197392292891E+03 0.10898E+01 -0.18529E+01 8856 0.174E+01 0.302E+01
DAV: 44 -0.198634128028E+03 -0.12418E+01 -0.33495E+01 8808 0.158E+01 0.333E+01
DAV: 45 -0.197550639063E+03 0.10835E+01 -0.19348E+01 8790 0.175E+01 0.297E+01
DAV: 46 -0.198728581731E+03 -0.11779E+01 -0.33927E+01 8916 0.160E+01 0.325E+01
DAV: 47 -0.198349860888E+03 0.37872E+00 -0.20283E+01 10284 0.175E+01 0.299E+01
DAV: 48 -0.199139263211E+03 -0.78940E+00 -0.27137E+01 10146 0.167E+01 0.288E+01
DAV: 49 -0.197601817339E+03 0.15374E+01 -0.20004E+01 9474 0.174E+01 0.259E+01
DAV: 50 -0.199006234590E+03 -0.14044E+01 -0.22702E+01 9750 0.169E+01 0.221E+01
DAV: 51 -0.198166182827E+03 0.84005E+00 -0.17873E+01 10164 0.167E+01 0.222E+01
DAV: 52 -0.199111987871E+03 -0.94581E+00 -0.19967E+01 10002 0.169E+01 0.264E+01
DAV: 53 -0.198630573465E+03 0.48141E+00 -0.15468E+01 9702 0.165E+01 0.215E+01
DAV: 54 -0.200235682256E+03 -0.16051E+01 -0.22270E+01 9732 0.167E+01 0.276E+01
DAV: 55 -0.198879007400E+03 0.13567E+01 -0.23312E+01 9168 0.173E+01 0.190E+01
DAV: 56 -0.199754721806E+03 -0.87571E+00 -0.19189E+01 9420 0.180E+01 0.272E+01
DAV: 57 -0.199094817450E+03 0.65990E+00 -0.23556E+01 9354 0.170E+01 0.234E+01
DAV: 58 -0.199569078662E+03 -0.47426E+00 -0.20832E+01 9642 0.174E+01 0.252E+01
DAV: 59 -0.198999134301E+03 0.56994E+00 -0.21043E+01 9642 0.173E+01 0.218E+01
DAV: 60 -0.199163523668E+03 -0.16439E+00 -0.18700E+01 9498 0.175E+01
1 F= -.19916352E+03 E0= -.19916352E+03 d E =0.000000E+00

I tried using ALGO = Normal and Fast, changing mixing tags according to manual (BMIX * Average eigenvalue; using AMIX = 0.2, BMIX = 0.0001 and optimizing AMIX) and have the same issue.

Any idea what could be happening? Here's my INCAR (most recent run): ENCUT = 600
LREAL = A
ISMEAR = -5
!NELM = 40
ALGO = Normal
NPAR = 6
!NEDOS = 1000
NPAR = 6
ICHARG = 1
AMIX = 0.11584
BMIX = 0.0001
AMIX_MAG = 0.8
BMIX_MAG = 0.0001

have you tried using a gaussian or MP smearing?
ISMEAR=0 or ISMEAR=1, using SIGMA=0.05.

Danny