OPEN (UNIT=3, FILE='LOAD1.CMD',STATUS='NEW') N1=1 write(3,*)'WORKAREA 1500 k' write(3,*)'resolution 999. 3. (lambda 1.08)' write(3,*)'LABEL ''BC-1 COMPLEX'' ' C write(3,*)'FILES ( INPUT 10 (NAME ''/temp/berry/chc01_003.rfl'' STATUS ''OLD'' )' WRITE(3,111) N1 write(3,*)' A 11 (NAME ''/temp/berry/a.prt'' . STATUS ''unknown'')' write(3,*)' B 12 (NAME ''/temp/berry/b.prt'' . STATUS '' '')' write(3,*)' C 13 (STATUS ''SCRATCH'')' write(3,*)' )' write(3,*)'LOAD (CELL 169.0 181.0 240.5 90. 90. 90. ' write(3,*)' SYMTRIES ''X,Y,Z'',''1/2+X,1/2-Y,-Z'', . ''1/2-X,-Y,1/2+Z'',''-X,1/2+Y,1/2-Z'' ' write(3,*)' SPACEGROUP ''P212121'' ' C write(3,*)' ASSIGN S ''0103'' ' WRITE(3,222) N1 write(3,*)' ASSIGN D ''T320'' ' write(3,*)' FORMAT ''(3F4.0,F2.0,F10.0,F8.2,F3.0)'' ' write(3,*)' (H K L PARTIALITY INTENSITY SIGMA)' write(3,*)' )' DO 500 N1=2,99 C write(3,*)'FILES (INPUT 10 (NAME ''/temp/berry/chc01_085.rfl'' STATUS ''OLD'' )' WRITE(3,111) N1 write(3,*)' INTERCHANGE A B' write(3,*)' )' write(3,*)'LOAD ( ASSIGN D ''T320'' ' C write(3,*)' ASSIGN S ''0185'' ' WRITE(3,222) N1 write(3,*)' FORMAT ''(3F4.0,F2.0,F10.0,F8.2,F3.0)'' ' write(3,*)' (H K L PARTIALITY INTENSITY SIGMA )' 500 write(3,*)' )' 111 format('FILES (INPUT 10 (NAME ''/temp/berry/chc01_',I3.3, . '.rfl'' STATUS ''OLD'' )') 222 FORMAT(' ASSIGN S ''01',I2.2,''' ') END