error.

txt

running on
48 nodes
each image running on
8 nodes
distr: one band on
2 nodes,
4 groups
vasp.4.6.36 17Feb09 complex
01/POSCAR found : 5 types and 214 ions
LDA part: xc-table for Ceperly-Alder, standard
interpolation
00/POSCAR found : 5 types and 214 ions
07/POSCAR found : 5 types and 214 ions
POSCAR, INCAR and KPOINTS ok, starting setup
WARNING: wrap around errors must be expected
FFT: planning ...
16
reading WAVECAR
entering main loop
N
E
dE
ncg
rms
rms(c)
DAV:
1
0.275521281523E+05
0.27552E+05
-0.56236E+05 4680
0.222E+03
DAV:
2
0.591157455325E+04
-0.21641E+05
-0.20248E+05 4712
0.585E+02
DAV:
3
-0.269556150182E+03
-0.61811E+04
-0.57780E+04 4928
0.261E+02
DAV:
4
-0.129364049628E+04
-0.10241E+04
-0.99804E+03 5552
0.113E+02
DAV:
5
-0.135308198730E+04
-0.59441E+02
-0.58700E+02 5632
0.260E+01
0.110E+02
DAV:
6
-0.173643735431E+05
-0.16011E+05
-0.15341E+05 7904
0.999E+01
0.110E+02
DAV:
7
-0.101680017837E+04
0.16348E+05
-0.95874E+03 7464
0.160E+02
0.845E+01
DAV:
8
-0.190891424476E+04
-0.89211E+03
-0.48005E+03 7368
0.206E+02
0.130E+02
DAV:
9
-0.925874045099E+03
0.98304E+03
-0.26185E+03 7256
0.138E+02
0.513E+01
DAV: 10
-0.104431585529E+04
-0.11844E+03
-0.14421E+03 6400
0.432E+01
0.436E+01
DAV: 11
-0.104739883837E+04
-0.30830E+01
-0.58672E+01 6216
0.265E+01
0.392E+01
DAV: 12
-0.102906545046E+04
0.18333E+02
-0.58050E+01 6464
0.185E+01
0.339E+01
DAV: 13
-0.102904042417E+04
0.25026E-01
-0.36458E+01 6888
0.131E+01
0.330E+01
DAV: 14
-0.103248487488E+04
-0.34445E+01
-0.22505E+01 6240
0.128E+01
0.286E+01
Page 1

d eps

error.txt
DAV: 15
-0.105205264896E+04
-0.19568E+02
-0.88056E+01 7200
0.353E+01
0.200E+01
DAV: 16
-0.111836448686E+04
-0.66312E+02
-0.12227E+02 7624
0.325E+01
0.202E+01
DAV: 17
-0.111809773332E+04
0.26675E+00
-0.69410E+01 5808
0.920E+00
0.182E+01
Error EDDDAV: Call to ZHEGV failed. Returncode =

Page 2

7 1 2