C RECIPROCAL LATTICE MESH PARAMETER
PARAMETER(KNX=21,KNX2=2*KNX-1,KNY=21,KNY2=2*KNY-1
& ,KNZ=21,KNZ2=2*KNZ-1,IRECMX=10000,KO=48)
PARAMETER(KNG=24000 ,KNG1=3275,KNG11=435 ,KNBMX=4175)
C K-POINT MESH PARAMETER
PARAMETER(KNVX=8,KNVY=8,KNVZ=8)
PARAMETER(KNVX2=8,KNVY2=8,KNVZ2=8
& ,KNV3=89)
C BAND NUMBER PARAMETER
PARAMETER(KEG=10 ,KBD1=1,KBD2=KEG)
C ATOMIC TYPE AND NUMBER PARAMETER
PARAMETER(KTYP=1,KATM=1)
PARAMETER(ISX=0,ISY=0,ISZ=0,IFX=KNX+ISX,IFY=KNY+ISY,IFZ=KNZ+ISZ)
PARAMETER(IFX2=2*IFX-1,IFY2=2*IFY-2,IFZ2=2*IFZ-2)
PARAMETER(KFFT=IFX2*IFY2*IFZ2)
C PARAMETER OF EWALD
PARAMETER(KLX=8 , KLX2=2*KLX+1 , KLY=8 , KLY2=2*KLY+1
& ,KLZ=8 , KLZ2=2*KLZ+1 )
PARAMETER(KMX=8 , KMX2=2*KMX+1 , KMY=8 , KMY2=2*KMY+1
& ,KMZ=8 , KMZ2=2*KMZ+1 )
C ATTN! KLX2*KLY2*KLZ2 > KMX2*KMY2*KMZ2 (?)
PARAMETER(KLM=KLX2*KLY2*KLZ2)
PARAMETER(KIZA=421)
C^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
COMMON/REALSP/ CATX(KATM),CATY(KATM),CATZ(KATM)
& ,PPOS(KATM),QPOS(KATM),RPOS(KATM)
& ,ALTV(3,3),RLTV(3,3),ALINV(3,3)
COMMON/RECIP/ GX(KNG),GY(KNG),GZ(KNG),GR(KNG)
& ,IG1(KNG),IG2(KNG),IG3(KNG),IGPO(KNX2,KNY2,KNZ2)
COMMON/FFTMAP/ IGF1(KNG),IGF2(KNG),IGF3(KNG)
COMMON/KPOIN1/ VX(KNV3),VY(KNV3),VZ(KNV3),VR(KNV3)
COMMON/FORMF/ ZFM2(KNBMX,KATM),ZFM3(KNG,KTYP)
COMMON/ATYPE/ ACHG(KTYP),AICHG(KATM),IATOM(KTYP)
& ,KFTYPE(KATM),KCOTYP
COMMON/EXCOR/ ZVXC(KNG),ZEXC(KNG)
COMMON/PSV1/ MESHR,NMES,DX,RAD(KIZA),VDD(KIZA,KTYP)
& ,VDDNL(KIZA,KTYP)
COMMON/PSV2/ WVS(KIZA,KTYP),WVP(KIZA,KTYP)
& ,WVD(KIZA,KTYP)
COMMON/PSEKB/ WS(KTYP),WP(KTYP),WD(KTYP)
COMMON/PSLOC/ AC(KTYP,2),BC(KTYP,2)
COMMON/PSSNL/ SNL(KNG1,KNV3,KTYP,10)
& ,SNL2(KNG1,KNV3,KTYP,9)
& ,SNL3(KNG1,KNV3,KTYP,4),CWL(10)
COMMON/NONLC/ NLSPD(KTYP)
COMMON/PSELOC/ DSC(KNG,KTYP),PSC(KNG,KTYP),ZPSCC(KNG)
& ,ZDSCC(KNG)
COMMON/EXCPCC/ ZRHPC(KNG),RHPCG(KNG,KTYP),ZVXCPC(KNG)
& ,ZRRPC(KNG),RRPCG(KNG,KTYP)
COMMON/RHO/ ZCHG(KNG),ZCHGO(KNG),ZAJ(KNG1,KEG,KNV3)
COMMON/EIGENE/ EF,NBD1,NBD2
COMMON/EIGENP/ EKO(KEG,KNV3),OCCUP(KEG,KNV3)
COMMON/EIGENV/ NBASE(KNG1,KNV3),IBA(KNV3),IBA2(KNV3)
& ,NBMAT(KNG11,KNV3)
COMMON/HFORCE/ ZFORC2(KATM,3),FFF1(KATM,3)
COMMON/MO/ CORA(KATM,3),CORP(KATM,3),CORB(KATM,3)
& ,VEL(KATM,3),AMION(KATM)
COMMON/EWCOR/ CX(KLM),CY(KLM),CZ(KLM),CKX(KLM),CKY(KLM)
& ,CKZ(KLM),CKR(KLM)
COMMON/SYMM1/ NGPT(KNG,KO),NAPT(KATM,KO),OP(3,3,KO)
& ,TAU(3,KO)
COMMON/DIV/ AK2(KNG1),RAK(KNG1,KNV3),RG(KNG),RGG(KNG)
COMMON/STR/ PEX(6),SIGSTR(6),SIGEWA(6),SIGNL(6)
COMMON/WORK4/ ZFBB(KEG,KNV3,KATM,10)
cGEN COMMON/WORK5/ CHGB1(KFFT),RHV(KFFT),ZV1D(KFFT)
dimension CHGB1(KFFT),RHV(KFFT),ZV1D(KFFT)
& ,ZC1D(KFFT)
COMMON/WORK6/ ZXXX(KNG),ZYYY(KNG),ZZZZ(KNG)
COMMON/WORK7/ XX(KNG),Y11(KNG),Y22(KNG),ZVP(KNG)
cGEN COMMON/WORK8/ X(KNG1),Y1(KNG1),Y2(KNG1),Y3(KNG1)
dimension X(KNG1),Y1(KNG1),Y2(KNG1),Y3(KNG1)
& ,Y4(KNG1),YD(KNG1)
& ,QX(KNG1),QY(KNG1),QZ(KNG1)
& ,QA1(KNG1),QA2(KNG1),QA3(KNG1)
& ,QA4(KNG1),QA5(KNG1)
cGEN
COMMON/SXSUM/ totsum,CHGSUM(KFFT)
COMMON/INIT/ PAI,PAI2,PAI4,ZI
COMMON/IT/ ITER,ISTOP
COMMON/TIMEST/ DTIM,DTIO
COMMON/INPUT/ PMIX(10000),PINIT,GMAX,CONV,ITEMAX
COMMON/OM/ OMO(KIZA)
COMMON/VOLUME/ RVOL,FVOL,UNIVOL,ALF
COMMON/KG/ KG,KG1
COMMON/K1/ KX1,KY1,KZ1
COMMON/KV/ KV3
COMMON/TEMPER/ BOLTZ,TEMPSB
COMMON/PR/ IPRI,IFLAG,ICONT
C VPP PARALLEL VERSION R1.01
PARAMETER(IPARA=8)
!XOCL PROCESSOR PQ(IPARA)
DIMENSION ZFBB2(KEG,KNV3,KATM,6)
!XOCL INDEX PARTITION IG=(PQ,INDEX=1:KNV3,PART=BAND)
!XOCL INDEX PARTITION IH=(PQ,INDEX=1:KO,PART=BAND)
!XOCL GLOBAL SNL(:,/IG,:,:),SNL2(:,/IG,:,:),SNL3(:,/IG,:)
!XOCL GLOBAL ZAJ(:,:,/IG),ZFBB(:,/IG,:,:)
!XOCL GLOBAL EKO(:,/IG),RAK(:,/IG),OCCUP(:,/IG)
!XOCL GLOBAL ZFBB2(:,/IG,:,:)
C
!XOCL GLOBAL NGPT(:,/IH),NAPT(:,/IH),OP(:,:,/IH),TAU(:,/IH)