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minmin_0082003

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专业: 凝聚态物性I:结构、力学和

[交流] 【求助】测试siesta里面的test但是运行不起来，输出文件如下已有2人参与

这是输出文件，
************************** End of input data file *****************************

reinit: -----------------------------------------------------------------------
reinit: System Name: benzene
reinit: -----------------------------------------------------------------------
reinit: System Label: benzene
reinit: -----------------------------------------------------------------------

initatom: Reading input for the pseudopotentials and atomic orbitals ----------
Species number:          1  Label: H Atomic number:          1
Species number:          2  Label: C Atomic number:          6
Ground state valence configuration: 1s01

read_pseudo: ERROR: Pseudopotential file not found: H.psf

ERROR STOP from Node: 0

在Linux界面上显示的是
siesta benzene.out
ERROR STOP from Node: 0
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image             PC             Routine          Line       Source
siesta          00000000006C962A  Unknown             Unknown  Unknown
siesta          00000000005F41C7  Unknown             Unknown  Unknown
siesta          0000000000651B97  Unknown             Unknown  Unknown
siesta          0000000000656E59  Unknown             Unknown  Unknown
siesta          00000000004A324C  Unknown             Unknown  Unknown
siesta          00000000005AE0CE  Unknown             Unknown  Unknown
siesta          00000000005D0BCC  Unknown             Unknown  Unknown
siesta          0000000000400D06  Unknown             Unknown  Unknown
siesta          0000000000CCE1F0  Unknown             Unknown  Unknown
siesta          0000000000400BED  Unknown             Unknown  Unknown

该怎么修改呢

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