Running VASP on 60 cores :
Using executable /home/medea/MD/TaskServer/Tools/vasp6.3.1/Linux-x86_64/vasp_std
running on 60 total cores
distrk: each k-point on 60 cores, 1 groups
distr: one band on 6 cores, 10 groups
vasp.6.3.1 04May22 (build Jun 24 2022 14:24:36) complex
MD_VERSION_INFO: Compiled 2022-06-24T12:52:24-UTC in mrdevlin:/home/medea/data/
build/vasp6.3.1/17134/x86_64/src/src/build/std from svn 17134
This VASP executable licensed from Materials Design, Inc.
POSCAR found : 4 types and 10 ions
-----------------------------------------------------------------------------
| |
| W W AA RRRRR N N II N N GGGG !!! |
| W W A A R R NN N II NN N G G !!! |
| W W A A R R N N N II N N N G !!! |
| W WW W AAAAAA RRRRR N N N II N N N G GGG ! |
| WW WW A A R R N NN II N NN G G |
| W W A A R R N N II N N GGGG !!! |
| |
| You use a magnetic or noncollinear calculation, but did not specify |
| the initial magnetic moment with the MAGMOM tag. Note that a |
| default of 1 will be used for all atoms. This ferromagnetic setup |
| may break the symmetry of the crystal, in particular it may rule |
| out finding an antiferromagnetic solution. Thence, we recommend |
| setting the initial magnetic moment manually or verifying carefully |
| that this magnetic setup is desired. |
| |
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scaLAPACK is switched off
LDA part: xc-table for Pade appr. of Perdew
found WAVECAR, reading the header
POSCAR, INCAR and KPOINTS ok, starting setup
FFT: planning ... GRIDC
FFT: planning ... GRID_SOFT
FFT: planning ... GRID
reading WAVECAR
the WAVECAR file was read successfully
initial charge from wavefunction
entering main loop
N E dE d eps ncg rms ort
gam= 0.000 g(H,U,f)= 0.411E+00 0.126E+00 0.166E-15 ort(H,U,f) = 0.000E+00 0.000E+00 0.000E+00
SDA: 1 -0.411152829838E+02 -0.41115E+02 -0.21475E+00 240 0.537E+00 0.000E+00
gam= 0.382 g(H,U,f)= 0.142E+00 0.777E-01 0.602E-13 ort(H,U,f) = 0.995E-01 0.886E-01 0.819E-13
DMP: 2 -0.412598065884E+02 -0.14452E+00 -0.11642E+00 240 0.219E+00 0.188E+00
gam= 0.382 g(H,U,f)= 0.375E-01 0.379E-01 0.566E-11 ort(H,U,f) = 0.433E-01 0.699E-01 0.116E-10
DMP: 3 -0.413400891253E+02 -0.80283E-01 -0.47458E-01 240 0.754E-01 0.113E+00
gam= 0.382 g(H,U,f)= 0.108E-01 0.187E-01 0.280E-16 ort(H,U,f) = 0.783E-02 0.421E-01 0.645E-16
DMP: 4 -0.413736300972E+02 -0.33541E-01 -0.19441E-01 240 0.295E-01 0.499E-01
gam= 0.382 g(H,U,f)= 0.594E-02 0.902E-02 0.272E-18 ort(H,U,f) =-0.632E-03 0.227E-01 0.736E-18
DMP: 5 -0.413877205620E+02 -0.14090E-01 -0.93556E-02 240 0.150E-01 0.221E-01
gam= 0.382 g(H,U,f)= 0.172E-02 0.394E-02 0.264E-16 ort(H,U,f) = 0.816E-03 0.110E-01 0.874E-16
DMP: 6 -0.413947402923E+02 -0.70197E-02 -0.40744E-02 240 0.566E-02 0.119E-01
gam= 0.382 g(H,U,f)= 0.113E-02 0.180E-02 0.120E-17 ort(H,U,f) = 0.499E-03 0.527E-02 0.213E-18
DMP: 7 -0.413979163356E+02 -0.31760E-02 -0.20558E-02 240 0.294E-02 0.577E-02
gam= 0.382 g(H,U,f)= 0.365E-03 0.840E-03 0.341E-15 ort(H,U,f) = 0.275E-03 0.255E-02 0.125E-14
DMP: 8 -0.413995013842E+02 -0.15850E-02 -0.91282E-03 240 0.120E-02 0.282E-02
gam= 0.382 g(H,U,f)= 0.152E-03 0.388E-03 0.425E-18 ort(H,U,f) = 0.179E-03 0.120E-02 0.165E-17
DMP: 9 -0.414002270209E+02 -0.72564E-03 -0.42761E-03 240 0.541E-03 0.138E-02
gam= 0.382 g(H,U,f)= 0.629E-04 0.182E-03 0.363E-20 ort(H,U,f) = 0.663E-04 0.569E-03 0.162E-19
DMP: 10 -0.414005628915E+02 -0.33587E-03 -0.19502E-03 240 0.245E-03 0.636E-03
gam= 0.382 g(H,U,f)= 0.218E-04 0.858E-04 0.186E-21 ort(H,U,f) = 0.249E-04 0.272E-03 0.871E-21
DMP: 11 -0.414007174542E+02 -0.15456E-03 -0.88400E-04 240 0.108E-03 0.297E-03
gam= 0.382 g(H,U,f)= 0.655E-05 0.405E-04 0.457E-16 ort(H,U,f) = 0.624E-05 0.129E-03 0.907E-16
DMP: 12 -0.414007868778E+02 -0.69424E-04 -0.39475E-04 240 0.471E-04 0.135E-03
gam= 0.382 g(H,U,f)= 0.218E-05 0.190E-04 0.280E-16 ort(H,U,f) = 0.193E-05 0.610E-04 0.595E-16
DMP: 13 -0.414008186235E+02 -0.31746E-04 -0.18087E-04 240 0.212E-04 0.629E-04
gam= 0.382 g(H,U,f)= 0.114E-05 0.892E-05 0.210E-16 ort(H,U,f) = 0.777E-07 0.289E-04 0.470E-16
DMP: 14 -0.414008332705E+02 -0.14647E-04 -0.84465E-05 240 0.101E-04 0.289E-04
gam= 0.382 g(H,U,f)= 0.293E-06 0.423E-05 0.951E-24 ort(H,U,f) = 0.340E-07 0.137E-04 0.569E-23
DMP: 15 -0.414008399803E+02 -0.67098E-05 -0.39020E-05 240 0.452E-05 0.137E-04
final diagonalization
1 F= -.41400840E+02 E0= -.41400840E+02 d E =-.145190E-20 mag= 0.0000
writing wavefunctions