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´íÎóÌáʾ POSITION.F(31): error #6358: Constants and expressions are invalid in read-only I/O lists. [MSP] read(15,*) (msp(i),i=1,10) Ç°ÃæmspÓж¨Òå character msp(10) read(15,*) (msp(i),i=1,10) Óï·¨ÓÐÎÊÌâÂ𣿠һÏÂÊÇÈ«²¿³ÌÐò program getpos ccccccccc 12 is SPPARKS OUTPUT cccccccc ccccccccc 15 is the molecure ccccccccc ccccccccc 13 is OUTPUT ccccccccccc integer mnum nsp real coord(2000,3) real species(10,3) integer nsp(10) real x y z character tile cellp cella cellb cellz msp(10) open(12,file='POSCAR',status='old') open(15,file='POSCAR',status='old') open(13,file='CONTCAR',status='new') ccccccccccccccccccc sys param a b c cccccccccccccc read(12,*) tile write(13,*) tile read(12,*) cellp write(13,*) cellp read(12,*) cella ; write(13,*) cella read(12,*) cellb ; write(13,*) cellb read(12,*) cellc ; write(13,*) cellc read(15,*); read(15,*); read(15,*); read(15,*); read(15,*); cccccccccccccccccccc atom char ccccccccccccccccccccccc read(15,*) (msp(i),i=1,10) write(13,*) (msp(i),i=1,10) read(12,*); cccccccccccccccccccc atom num cccccccccccccccccccccccc read(12,*) mnum read(15,*) (nsp(i),i=1,10) DO i=1, 10 N_anum=mnum*nsp(i) write(13,N_anum) END DO read(12,*) read(15,*) write(13,*) 'R' cccccccccccccccc read molecue coord cccccccccccc DO i=1, mnum read(12,*) (coord(i,j),j=1,13) ENDDO close(12) cc DO j=1, 10 !!! species cyc !!!!!! DO i=1, nsp(j) !!! the j atom cyc !!!!!! read(15,*) x y z !!!!!!!!!!!!!!!!!!!!!!!! molecure coord !!!!!!!!!!!!! DO k=1, mnum nx=x+coord(k,1) ny=y+coord(k,2) nz=z+coord(k,3) write(13,*) nx ,ny ,nz ENDDO ENDDO ENDDO close(15) close(13) END [ Last edited by ºØÒÇ on 2011-8-23 at 14:53 ] |
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