计算弹性常数时报错
-->> (02) Reading Structural Parameters from POSCAR File...-->> (03) Reading the Symmetry of Structure from the SYMMETRY.in file.
-->> (04) Calculating Fitting Coefficients of Energy vs. Strain.
-->> Current directory:Fitting Precision
C11_C12 Folder:0.528E-08
C66 Folder:0.115E-08
C33 Folder:0.313E-08
Warning! Total-energy might not well converge 0.654E-03
C44 Folder:0.270E-08
C11_C12_C13_C33 Folder:0.778E-09
C11_C13_C33 Folder:0.557E-08
请问这个报错是什么意思,要怎么处理,现在的数据还是否可信?
只需要把没有收敛好的作业重新提交计算。
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