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[求助] abinit 几何结构优化无法收敛

如题，最近在用abinit对单层石墨烯进行计算，几何结构优化无法收敛！想在此讨教解决方案。请各位大侠不吝赐教。谢谢！现贴上我的输入文件。
# AGNR
#ndtset 10
#ngkpt 1 1 4
#ngkpt+ 0 0 2
#Definition of the unit cell
acell 19.29 10.0 4.26258  Angstrom #设置晶格常数a=b=c为9.65285 a.u.
angdeg 90 90 90

#Definition of the atom types
ntypat 2       # There is only one type of atom
znucl 6 1       # The keyword "znucl" refers to the atomic number of the
               # possible type(s) of atom. The pseudopotential(s)
               # mentioned in the "files" file must correspond
               # to the type(s) of atom. Here, the only type is Hydrogen.


#Definition of the atoms
natom 18          # There are two atoms
typat 1 1 1 1 1 1 1
   1 1 1 1 1 1 1
   2 2 2 2
               # They both are of type 1, that is, Hydrogen

xred          # This keyword indicates that the location of the atoms
               # will follow, one triplet of number for each atom
               # Triplet giving the cartesian coordinates of atom 1, in Bohr
               # Triplet giving the cartesian coordinates of atom 2, in Bohr
0.30863122  0.5       0.11111112
0.30863122  0.5       0.22222223
0.37242081  0.5       0.27777778
0.37242081  0.5       0.05555556
0.43621039  0.5       0.11111112
0.43621039  0.5       0.22222223
0.50000001  0.5       0.27777778
0.50000001  0.5       0.05555556
0.56378962  0.5       0.11111112
0.56378962  0.5       0.22222223
0.62757918  0.5       0.27777778
0.62757918  0.5       0.05555556
0.69136879  0.5       0.11111112
0.69136879  0.5       0.22222223
0.25920175  0.5       0.06806207
0.25920175  0.5       0.26527127
0.74079826  0.5       0.06806207
0.74079826  0.5       0.26527127

kptopt 1 #设置生成k点的方法，这里表明有ngkpt和nshiftk来确定k点网格的大小

ngkpt 1 1 4 #设置对布里渊区进行8x8x8网格的划分

nshiftk 1 #对划分得到的k点按下面的偏移量进行平移

shiftk 0.0 0.0 0.5

#Definition of the SCF procedure
ionmov  3          # Use the modified Broyden algorithm
ntime  500          # Maximum number of Broyden "timesteps"
tolmxf  5.0d-4       # Stopping criterion for the geometry optimization :
ecut 40.0
iscf 7 #自洽迭代中的算法，这里采用cg方法优化。
toldff 5.0d-5 #自洽迭代迭过程总能收敛的标准
diemac 3.0 #体系宏观的介电常数
nstep 500 #最大自洽迭代步数
#getwfk -1
getden -1
#Definition of the outfile information
prtwf 0 #不输出波函数文件。

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