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虫号: 4175803
注册: 2015-10-26
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[求助] siesta计算过程出错

在计算未完结之前出现错误，具体内容如下，请教各位前辈该怎么解决！下面只是显示的计算结果最后出错的部分。
atom: -------------------------------------------------------------------------

atom: SANKEY-TYPE ORBITALS:
atom: Selected multiple-zeta basis: split

SPLIT: Orbitals with angular momentum L= 0

SPLIT: Basis orbitals for state 2s

SPLIT: PAO cut-off radius determined from an
SPLIT: energy shift=  0.020000 Ry
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image             PC             Routine          Line       Source
.                000000000086DD11  Unknown             Unknown  Unknown
.                000000000086C467  Unknown             Unknown  Unknown
.                00000000008107B4  Unknown             Unknown  Unknown
.                00000000008105C6  Unknown             Unknown  Unknown
.                00000000007C526F  Unknown             Unknown  Unknown
.                00000000007CB00D  Unknown             Unknown  Unknown
libpthread.so.0 00002B681F2A0710  Unknown             Unknown  Unknown
.                000000000066948F  Unknown             Unknown  Unknown

Stack trace terminated abnormally.

请给位前辈不吝赐教