13 现在已经解决了，我是重新截面然后加真空层再提交没有问题了，但是和之前的POSCAR还有KPOINTS差别不大...
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错误1:VERY BAD NEWS! Internal error in subroutine IBZKPT: Reciprocallattice and k-lattice belong todi错误1:VERY BAD NEWS! Internal error in subroutine IBZKPT: Reciprocal lattice and k-lattice belong todifferent class of lattices. Often results are still useful... 48 Internal内部 subroutine...
2, No. 6, pp 768-782 (1971) Pressure-Strain and Pressure-Volume Relationships in the Crystal Lattice of Polyethylene at 293°K Taisuke ITo and Harumasa MARur* Departme:1! of Dyeing, Faculty of Industrial Arts, Kyoto University of Industrial Arts and Textile Fibers, Matsugasaki, Sakyo-ku,...