[½»Á÷] MSÄÜ´ø´¦Àí·½·¨³ÌÐò

        program msbs
        implicit none
        integer::i,j,k,n,l
        real*8,dimension(:,:),allocatable::d
        character(len=1)::a
        character(len=30)::a1
        write(*,'(15x,"¸ÃÈí¼þΪ¼ÆËã´¦Àíms band structureС³ÌÐò")')
        write(*,'("ʹÓ÷½·¨£º")')
        write(*,'("1¡¢ÔÚmsÖл­³öband structure£»")')
        write(*,'("2¡¢½«band structureͼexportΪ.csv¸ñʽÎļþ£»")')
        write(*,'("3¡¢½«µÃµ½µÄÎļþÓÃexel´ò¿ª£¬ÉèÖÃÊý¾Ý¸ñʽΪ15λСÊý£»")')
        write(*,'("4¡¢ÔÙ½«´ËÎļþÁí´æΪ.txtÎļþ¡£")')
        write(*,'("ÓÚÊǼ´¿ÉÀûÓô˳ÌÐò´¦Àíband structureÊý¾Ý")')
        write(*,'("µÃµ½datÎļþ¿ÉÖ±½Óµ¼Èëµ½originÖÐ×÷ͼ")')
        write(*,'("×¢Ò⣺ÎļþÃûÓÉÊý×ÖºÍ×Öĸ×é³É£¬²»Çø·Ö´óСд£¬×30
        1×Ö½Ú")')
        write(*,*)
        write(*,'("--------------------")')
        write(*,*)
        write(*,'("ÇëÊäÈë·ÖÎöµÄÎļþÃû£º£¨²»ÓÃдºó׺£©")')
        read*,a1
        open(1,file=trim(a1)//'.txt',status='old',access='sequential',
        1form='formatted',action='read')
        open(2,file=trim(a1)//'.dat',status='replace',access='sequential',
        1form='formatted')
        i=0
        n=0
        do
        read(1,'(a1)',iostat=l)a
        if (l/=0) exit
        if (a=="1") n=n+1
        i=i+1
        end do
        allocate(d(i/n-1,n+1))
        rewind(1)
        do j=1,i/n-1
        read(1,'(f17.15,f21.15)')d(j,1),d(j,2)
        end do
        k=3
        read(1,*)       
        do j=i/n+1,i
        if (mod(j,i/n)==0) then
        k=k+1
        read(1,*)       
        else
        read(1,'(a30)')a1
        backspace(1)
        if (a1(20:20)=="-") then
        read(1,'(17x,f21.15)')d(mod(j,i/n),k)
        else
        read(1,'(17x,f20.15)')d(mod(j,i/n),k)
        end if
        end if
        end do
        do j=2,n+1
        if (maxval(d(:,j))*minval(d(:,j+1))<=0) then
        print*,abs(minval(d(:,j+1))-maxval(d(:,j)))
        exit
        end if
        end do
        k=j
        do j=1,i/n-1
        write(2,'(2x,11f9.4)')d(j,1),d(j,k-4:k+5)
        end do
        deallocate(d)
        close(1)
        close(2)
        end program msbs

2Â¥: Originally posted by Сºì¶¹ at 2018-12-18 22:17:27
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3Â¥: originally posted by qli0218 at 2018-12-20 11:22:19
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5Â¥: Originally posted by tsglss at 2018-12-20 22:07:36
ÇëÎÊ£¬ms_bandstructure.exeÔÚÄÄÀïÏ£¿ÓÐʲôÓô¦£¿Õâ¸ö³ÌÐòÄܶÔÄÜ´ø½øÐÐÄÜ´øÕ¹¿íÂð£¿Ð»Ð»