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ÒѾ­±àÒëºÃ£¬¶øÇÒ˵Ã÷ÊéʵÀýSiÒѾ­¿ÉÒÔ¼ÆË㣬µ«ÊÇÔÚ¼ÆË㳬¾§¸ñ½á¹¹Ê±£¨K-POINT=6X6X1£©£¨¼ÆËã96¸ö½Úµã£¬16¸öÔ­×Ó£© Éú³ÉÁËwannier90.winÎļþ£¬È´Ö»ÓÐÒ»ÐÐ ¡¾ num_wann =    96  ! set to NBANDS by VASP¡¿ wannier90.wout ¡¾...... | The b-vectors are chosen automatically                                     | Exiting....... kmesh_get_bvector: Not enough bvectors found¡¿ OUTCAR ¡¾Analysis of symmetry for initial positions (statically): ===================================================================== Subroutine PRICEL returns: Original cell was already a primitive cell. Routine SETGRP: Setting up the symmetry group for a hexagonal supercell. Subroutine GETGRP returns: Found  6 space group operations (whereof  6 operations were pure point group operations) out of a pool of 24 trial point group operations. The static configuration has the point symmetry C_3v. Analysis of symmetry for dynamics (positions and initial velocities): ===================================================================== Subroutine PRICEL returns: Original cell was already a primitive cell. Routine SETGRP: Setting up the symmetry group for a hexagonal supercell. Subroutine GETGRP returns: Found  6 space group operations (whereof  6 operations were pure point group operations) out of a pool of 24 trial point group operations. The dynamic configuration has the point symmetry C_3v. writing wavefunctions ¡¿ ÒòΪҲÊǵÚÒ»´Î×öwannier90º¯Êý¼ÆË㣬ËùÒÔÓкܶ಻¶®µÄµØ·½£¬ÏëÒªÇë½Ì¸÷λǰ±²£¬ÎÒÓ¦¸ÃÈçºÎÐ޸ģ¿£¨ÊäÈëÎļþÖ±½Ó¾ÍÊÇSiÀý×ÓµÄÊäÈëÎļþ£¬Ã»ÓиĹý£¬Si³É¹¦ÁË£¬³¬¾§¸ñ¾ÍûÓгɹ¦£©£¬ÔÚÏߵȣ¬Óе㼱

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