C---------------------------------------------------------------- SUBROUTINE EVOU2(ALFA) IMPLICIT REAL(A-H,O-Y) IMPLICIT COMPLEX(Z) INCLUDE 'PACVPP' REWIND 11 REWIND 20 WRITE (20,300) EF 300 FORMAT(1H ,'E-K CURVE EF =',F12.6) DO 100 NNN=1,KV3 WRITE(20,303) VX(NNN),VY(NNN),VZ(NNN) 303 FORMAT((1H ,3(F10.6,2X))) WRITE(20,302) (EKO(I,NNN),I=1,KEG) 302 FORMAT((1H ,5(F10.6,2X))) 100 CONTINUE C'''''WRITE 11!''''''''''''''''''''''''''''''''''''''''''''''''''' WRITE(11,399) ITEMAX,PINIT,CONV,GMAX,ICONT 399 FORMAT(' ',I6,F8.4,D12.4,F8.4,I4) DO 400 I=1,3 WRITE(11,500) ALTV(1,I),ALTV(2,I),ALTV(3,I) 400 CONTINUE WRITE(11,*) KCOTYP,' COORDINATES 0:NORMALIZED 1:CARTESIAN ' IF(KCOTYP.EQ.0) THEN DO 410 IA=1,KATM PPOS(IA) = ALINV(1,1)*CATX(IA) & + ALINV(1,2)*CATY(IA) + ALINV(1,3)*CATZ(IA) QPOS(IA) = ALINV(2,1)*CATX(IA) & + ALINV(2,2)*CATY(IA) + ALINV(2,3)*CATZ(IA) RPOS(IA) = ALINV(3,1)*CATX(IA) & + ALINV(3,2)*CATY(IA) + ALINV(3,3)*CATZ(IA) 410 CONTINUE WRITE(11,500)(PPOS(IA),QPOS(IA),RPOS(IA),IA=1,KATM) ELSE WRITE(11,500)(CATX(IA),CATY(IA),CATZ(IA),IA=1,KATM) END IF NNATM=0 DO 420 IT=1,KTYP NNATM=NNATM+IATOM(IT) WRITE(11,*) IATOM(IT),NLSPD(IT) WRITE(11,502) AICHG(NNATM),ALFA WRITE(11,502) ACHG(IT),AC(IT,1),AC(IT,2),BC(IT,1),BC(IT,2) 420 CONTINUE 500 FORMAT(3(F20.10)) 502 FORMAT(5(F15.8)) C''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''' RETURN END