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二维结构双轴应变下,1.4%双轴应变计算没问题,1.5%双轴应变计算就报错如下:INCAR,POTCAR,KPOINTS文件都与1.4%应变下的文件一致。求高手指点迷津
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forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
vasp_std 00000000004DE700 Unknown Unknown Unknown
vasp_std 0000000001158DD0 Unknown Unknown Unknown
vasp_std 00000000004250AC Unknown Unknown Unknown
libc.so.6 00002B61B4E0ACDD Unknown Unknown Unknown
vasp_std 0000000000424FA9 Unknown Unknown Unknown
yhrun: error: cn85: tasks 0-23: Exited with exit code 174
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贴出计算INCAR:
ENCUT = 650
EDIFF = 1E-6
EDIFFG = -0.001
PREC = Accurate
ISIF = 2
IBRION = 2
NSW =60
ISMEAR =0
SIGMA = 0.05
#No writing charge density and wavefunction
LCHARG = FALSE
LWAVE = FALSE
NPAR = 4
ISYM = 0
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