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虫号: 3371917
注册: 2014-08-18
专业: 凝聚态物性 II ：电子结构

[求助] VASP输出结果JCARBX、JCARBY、JCARBZ怎样作图？

VASP计算时输入文件INCAR加入如下参数时：
LCHIMAG=.TRUE.  !use linear response to calculate shielding tensor,perturbation theory with respect to B field
LWRTCUR=.TRUE.  !write current response to B field to file
LBFCONST=.TRUE.  !constant B field appiled
BCONST= 10.0000 10.0000 10.0000  !applied magnetic field
输出结果会产生JCARBX、JCARBY、JCARBZ三个文件（见附件）。文件内容可能是电流密度矢量图类似的内容。请问这结果用什么软件作图？
产生这三个文件的源代码应该是下面这段：

   ! we might want to look at the current
   IF (LWRTCUR) THEN
      IF (IO%IU6>=0) THEN
         OPEN(UNIT=99,FILE=DIR_APP(1

IR_LEN)//'JCAR'//DIR_TEXT(BDIR),STATUS='UNKNOWN')
         ! write header
         CALL OUTPOS(99,.FALSE.,INFO%SZNAM1,T_INFO,LATT_CUR%SCALE,LATT_CUR%A,.FALSE.,T_INFO%POSION)
         WRITE(99,'(3I5)') GRID_SOFT%NGX,GRID_SOFT%NGY,GRID_SOFT%NGZ
         WRITE(99,'(5(1X,E17.11))') (0._q, I=1,GRID_SOFT%NGX*GRID_SOFT%NGY*GRID_SOFT%NGZ)
         DO J=1,3
            WRITE(99,'(3I5)') GRID_SOFT%NGX,GRID_SOFT%NGY,GRID_SOFT%NGZ
            WRITE(99,'(5(1X,E17.11))') &
            &  (REAL(S_BARE(I,J),q),I=1,GRID_SOFT%NGX*GRID_SOFT%NGY*GRID_SOFT%NGZ)
         ENDDO
         CLOSE(99)
      ENDIF
   ENDIF

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