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新虫 (初入文坛)

应助: 0 (幼儿园)
金币: 31
帖子: 3
在线: 2.4小时
虫号: 4971503
注册: 2016-09-02
专业: 偏微分方程

[求助] a disagreement between the declared dimension of the array 已有1人参与

各位金虫，银虫们：
我是刚学Abinit的小木虫。算HgCl2和布里奇曼石时，一个算不动，一个提示出错，鄙人才疏学浅实在搞不懂，求助于各位，望解答，以后苟富贵勿相忘！
HgCl2的
ndtset 20
acell: 60 60 60
acell+ 0.5 0.5 0.5
rprim
1.0 0.0 0.0
0.0 1.0 0.0
0.0 0.0 1.0
ntypat 2
znucl 17 80
natom 3
typat 2*1 2
amu 35 198
xangst
-2.43  0.0 0.0
2.43  0.0 0.0
0.00  0.0 0.0
ecut 70
nkpt 1
nstep 60
toldfe 1.0d-6
diemac 1.0
diemix 0.5
ixc 11
报错
forrtl: severe (27): too many records in I/O statement, unit -5, file Internal Formatted Write

布里奇曼石的
acell  9.0242 9.3148 13.0333
angdeg 90 90 90
ntypat 3
znucl 8 14 12
natom 20
typat 12*1 4*2 4*3
xangst
0.49091112 2.29700720 1.72422500
0.93645594 0.99274088 3.81467539
4.28448888 2.63219280 5.17267500
2.87861112 0.16759280 5.17267500
1.89678888 4.76160720 1.72422500
3.83894406 3.93645912 0.36622539
3.32415594 1.47185912 3.08222461
1.45124406 3.45734088 6.53067461
3.83894406 3.93645912 3.08222461
0.93645594 0.99274088 6.53067461
1.45124406 3.45734088 3.81467539
3.32415594 1.47185912 0.36622539
2.38770000 0.00000000 3.44845000
2.38770000 0.00000000 0.00000000
0.00000000 2.46460000 3.44845000
0.00000000 2.46460000 0.00000000
2.45503314 2.74063520 1.72422500
2.32036686 2.18856480 5.17267500
0.06733314 4.65316480 5.17267500
4.70806686 0.27603520 1.72422500
ecut 300 Ry
ngkpt 2 2 2
nshiftk 4
shiftk 0.5 0.5 0.5
   0.5 0.0 0.0
   0.0 0.5 0.0
   0.0 0.0 0.5
nstep 10
toldfe 1.0d-6
diemac 12.0
prtwf 2
istwfk 1 1 1 1 1 1 1 1
kptopt 2
optforces 1
报错
--- !ERROR
message: |
There is a problem with the input file : maybe
a disagreement between the declared dimension of the array,
and the number of data actually provided.
Action: correct your input file !
src_file: inarray.F90
src_line: 190

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