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宝5403

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注册: 2010-09-27
专业: 凝聚态物性 II ：电子结构

[交流] 【求助】怎样将MS建的结构.cif文件导入Wien2k中？？？已有2人参与

如我ms建的SnO2，，我敲了cif2struct SnO2.c    回车后如下

bao1@cluster SnO2]$ cif2struct SnO2.c
forrtl: severe (59): list-directed I/O syntax error, unit 1, file /home/bao1/SnO2/SnO2.c
Image             PC             Routine          Line       Source
cif2struct       00000000004E135D  Unknown             Unknown  Unknown
cif2struct       00000000004DFE65  Unknown             Unknown  Unknown
cif2struct       000000000048E4D0  Unknown             Unknown  Unknown
cif2struct       0000000000440C2A  Unknown             Unknown  Unknown
cif2struct       0000000000440420  Unknown             Unknown  Unknown
cif2struct       000000000046D2BB  Unknown             Unknown  Unknown
cif2struct       000000000046AE0A  Unknown             Unknown  Unknown
cif2struct       000000000043D2F4  scan_in_                31  scan_in.f
cif2struct       000000000041D815  MAIN__                   21  structgen.f
cif2struct       000000000040356C  Unknown             Unknown  Unknown
libc.so.6       000000319E01D994  Unknown             Unknown  Unknown
cif2struct       0000000000403479  Unknown             Unknown  Unknown

[ Last edited by bingmou on 2010-10-26 at 18:34 ]

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