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