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[求助] Co3O4的LDA+U计算报错求助

我计算Co3O4报错如下，不知是什么问题，尝试换赝势也不行，in文件贴在了后面。
谢谢！！！
atomic mag. moment =    3.000000
N of occupied +U levels =  168.000000
--- exit write_ns ---
Atomic wfc used for LDA+U Projector are NOT orthogonalized
   Starting wfc are  440 randomized atomic wfcs

   total cpu time spent up to now is    20.5 secs

   per-process dynamical memory: 89.3 Mb

   Self-consistent Calculation

   iteration #  1    ecut= 30.00 Ry    beta=0.40
   Davidson diagonalization with overlap

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
   Error in routine cdiaghg (1516):
   S matrix not positive definite
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

   stopping ...

#######################################
我的in文件
&CONTROL
title = "MnO, multiplicity=6, U=2.5"
calculation = "scf",
restart_mode = "from_scratch",
prefix = "MnO.c0.s6.u2.5",
outdir = ".//a0.08",
pseudo_dir = "./",
wf_collect=.TRUE.
/
&SYSTEM
ibrav=1,celldm(1)=8.022446,ecutwfc=30, ecutrho=300,
starting_magnetization(1)=0.25,starting_magnetization(2)=0.25,
nspin=2,occupations="fixed",
nat=56,ntyp=2,tot_charge=0.000000,tot_magnetization=5.000000
lda_plus_U=.true.,Hubbard_U(1)=2.5,Hubbard_alpha(1)=0.08
/
&ELECTRONS
startingpot="file"
mixing_beta=0.4,conv_thr=1D-9,diago_thr_init=1D-11,electron_maxstep=150
/
ATOMIC_SPECIES
Co 58.933 Co.pbe-sp-van.UPF
O 15.999 O.PBE.US.RRKJ3
ATOMIC_POSITIONS (angstrom)
Co 1.003 1.003 1.003
Co  7.020 7.020 7.020
Co  5.014 1.003 5.014
Co  3.008 7.020 3.008
Co  1.003 5.014 5.014
Co  7.020 3.008 3.008
Co  5.014 5.014 1.003
Co  3.008 3.008 7.020
Co  4.011 4.011 4.011
Co  2.006 6.017 0.000
Co  6.017 2.006 0.000
Co  6.017 0.000 2.006
Co  2.006 0.000 6.017
Co  0.000 2.006 6.017
Co  0.000 6.017 2.006
Co  4.011 0.000 0.000
Co  2.006 2.006 4.011
Co  6.017 6.017 4.011
Co  6.017 4.011 6.017
Co  2.006 4.011 2.006
Co  0.000 4.011 0.000
Co  4.011 2.006 2.006
Co  4.011 6.017 6.017
Co  0.000 0.000 4.011
O  2.082 2.082 2.082
O  5.941 5.941 5.941
O  3.935 7.946 6.093
O  4.087 0.076 1.929
O  7.946 6.093 3.935
O  0.076 1.929 4.087
O  6.093 3.935 7.946
O  1.929 4.087 0.076
O  0.076 4.087 1.929
O  7.946 3.935 6.093
O  4.087 1.929 0.076
O  3.935 6.093 7.946
O  1.929 0.076 4.087
O  6.093 7.946 3.935
O  2.082 6.093 6.093
O  5.941 1.929 1.929
O  3.935 3.935 2.082
O  4.087 4.087 5.941
O  7.946 2.082 7.946
O  0.076 5.941 0.076
O  0.076 0.076 5.941
O  7.946 7.946 2.082
O  4.087 5.941 4.087
O  3.935 2.082 3.935
O  6.093 2.082 6.093
O  1.929 5.941 1.929
O  2.082 3.935 3.935
O  5.941 4.087 4.087
O  5.941 0.076 0.076
O  2.082 7.946 7.946
O  6.093 6.093 2.082
O  1.929 1.929 5.941
K_POINTS (automatic)
3 3 3 0 0 0

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