doi: "10.1103/PhysRevLett.77.3865"; reference: "JP Perdew, K Burke, M Ernzerhof, Phys.Rev.Lett. 77, 3865 (1996) "; F000001: 0.0000000000000000E+00; F000003: 0.0000000000000000E+00; F000004: 0.0000000000000000E+00; F000005: 0.0000000000000000E+00; F000006: 0.0000000000000000E+00; /* comp: rhoa.gt.0.5000000000000000E-18 */ F000007(rhoa):= F000003+rhoa; F000008(sigmaaa):= F000006+sigmaaa; /* comp: rhob.gt.0.5000000000000000E-18 */ F000009(rhoa,rhob):= F000007(rhoa)+rhob; F000010(sigmaaa,sigmabb):= F000008(sigmaaa)+sigmabb; /* comp: rhoa.gt.0.5000000000000000E-18 */ F000011(sigmaab):= 0.2000000000000000E+01*sigmaab; F000012(sigmaaa,sigmaab,sigmabb):= F000010(sigmaaa,sigmabb)+F000011(sigmaab); /* comp: F000009(rhoa,rhob).le.0.1000000000000000E-17 */ F000013: 0.0000000000000000E+00; F000089(rhoa,rhob) := F000013 + nwxc_c_pw91lda(param(01),rhoa,rhob); F000090(rhoa,rhob):= abs(F000089(rhoa,rhob)); /* comp: F000090(rhoa,rhob).lt.0.1000000000000000E-35 */ F000091(rhoa,rhob):= 0.1000000000000000E+01/F000009(rhoa,rhob); F000092(rhoa,rhob):= F000091(rhoa,rhob)*F000091(rhoa,rhob); F000093(rhoa,rhob):= F000089(rhoa,rhob)*F000091(rhoa,rhob); F000094(rhoa,rhob):= 0.2960881320326807E+02*F000009(rhoa,rhob); F000095(rhoa,rhob):= F000094(rhoa,rhob)^0.1666666666666667E+00; F000096(rhoa,rhob):= 0.2000000000000000E+01*F000095(rhoa,rhob); F000097(rhoa,rhob):= F000096(rhoa,rhob)/0.1772453850905516E+01; F000098(rhoa,rhob):= rhoa-rhob; F000099(rhoa,rhob):= F000098(rhoa,rhob)/F000009(rhoa,rhob); /* comp: F000099(rhoa,rhob).le.-0.1000000000000000E+01 */ /* comp: F000099(rhoa,rhob).ge.0.1000000000000000E+01 */ F000100(rhoa,rhob):= 0.1000000000000000E+01+F000099(rhoa,rhob); F000101(rhoa,rhob):= 0.1000000000000000E+01-F000099(rhoa,rhob); F000102: 0.0000000000000000E+00; /* comp: F000100(rhoa,rhob).gt.0.1000000000000000E-09 */ F000103(rhoa,rhob):= F000100(rhoa,rhob)^(2/3); F000104(rhoa,rhob):= 0.5000000000000000E+00*F000103(rhoa,rhob); F000105(rhoa,rhob):= F000102+F000104(rhoa,rhob); /* comp: F000101(rhoa,rhob).gt.0.1000000000000000E-09 */ F000106(rhoa,rhob):= F000101(rhoa,rhob)^(2/3); F000107(rhoa,rhob):= 0.5000000000000000E+00*F000106(rhoa,rhob); F000108(rhoa,rhob):= F000105(rhoa,rhob)+F000107(rhoa,rhob); F000109(rhoa,rhob):= 0.1000000000000000E+01/F000097(rhoa,rhob); F000110(rhoa,rhob):= 0.1000000000000000E+01/F000108(rhoa,rhob); F000111(rhoa,rhob):= F000110(rhoa,rhob)*F000110(rhoa,rhob); F000112(rhoa,rhob):= F000111(rhoa,rhob)*F000110(rhoa,rhob); F000113(rhoa,rhob):= F000112(rhoa,rhob)*F000110(rhoa,rhob); F000114(rhoa,rhob):= F000093(rhoa,rhob)*F000112(rhoa,rhob); F000115(rhoa,rhob):= F000114(rhoa,rhob)/0.3109069086965489E-01; F000116(rhoa,rhob):= -(F000115(rhoa,rhob)); F000117(rhoa,rhob):= abs(F000116(rhoa,rhob)); /* comp: F000117(rhoa,rhob).lt.0.4000000000000000E+02 */ F000118(rhoa,rhob):= exp(F000116(rhoa,rhob)); F000119(rhoa,rhob):= F000118(rhoa,rhob)-0.1000000000000000E+01; F000120(rhoa,rhob):= F000119(rhoa,rhob)*F000119(rhoa,rhob); F000121: param(01)/0.3109069086965489E-01; F000122(rhoa,rhob):= F000121/F000119(rhoa,rhob); F000123(rhoa,rhob):= F000110(rhoa,rhob)*F000109(rhoa,rhob); F000124(rhoa,rhob):= F000123(rhoa,rhob)*F000091(rhoa,rhob); F000125(rhoa,rhob):= F000124(rhoa,rhob)/0.2000000000000000E+01; F000126(rhoa,rhob):= F000125(rhoa,rhob)^0.2000000000000000E+01; F000127(rhoa,rhob,sigmaaa,sigmaab,sigmabb):= F000012(sigmaaa,sigmaab,sigmabb)*F000126(rhoa,rhob); F000128(rhoa,rhob,sigmaaa,sigmaab,sigmabb):= F000127(rhoa,rhob,sigmaaa,sigmaab,sigmabb)*F000127(rhoa,rhob,sigmaaa,sigmaab,sigmabb); F000129(rhoa,rhob,sigmaaa,sigmaab,sigmabb):= F000122(rhoa,rhob)*F000127(rhoa,rhob,sigmaaa,sigmaab,sigmabb); F000130(rhoa,rhob,sigmaaa,sigmaab,sigmabb):= 0.1000000000000000E+01+F000129(rhoa,rhob,sigmaaa,sigmaab,sigmabb); F000131(rhoa,rhob,sigmaaa,sigmaab,sigmabb):= F000122(rhoa,rhob)*F000127(rhoa,rhob,sigmaaa,sigmaab,sigmabb); F000132(rhoa,rhob,sigmaaa,sigmaab,sigmabb):= 0.1000000000000000E+01+F000131(rhoa,rhob,sigmaaa,sigmaab,sigmabb); F000133(rhoa,rhob):= F000122(rhoa,rhob)*F000122(rhoa,rhob); F000134(rhoa,rhob,sigmaaa,sigmaab,sigmabb):= F000133(rhoa,rhob)*F000128(rhoa,rhob,sigmaaa,sigmaab,sigmabb); F000135(rhoa,rhob,sigmaaa,sigmaab,sigmabb):= F000132(rhoa,rhob,sigmaaa,sigmaab,sigmabb)+F000134(rhoa,rhob,sigmaaa,sigmaab,sigmabb); F000136(rhoa,rhob,sigmaaa,sigmaab,sigmabb):= F000135(rhoa,rhob,sigmaaa,sigmaab,sigmabb)*F000135(rhoa,rhob,sigmaaa,sigmaab,sigmabb); F000137(rhoa,rhob,sigmaaa,sigmaab,sigmabb):= F000130(rhoa,rhob,sigmaaa,sigmaab,sigmabb)/F000135(rhoa,rhob,sigmaaa,sigmaab,sigmabb); F000138: param(01)/0.3109069086965489E-01; F000139(rhoa,rhob,sigmaaa,sigmaab,sigmabb):= F000138*F000127(rhoa,rhob,sigmaaa,sigmaab,sigmabb); F000140(rhoa,rhob,sigmaaa,sigmaab,sigmabb):= F000139(rhoa,rhob,sigmaaa,sigmaab,sigmabb)*F000137(rhoa,rhob,sigmaaa,sigmaab,sigmabb); F000141(rhoa,rhob,sigmaaa,sigmaab,sigmabb):= 0.1000000000000000E+01+F000140(rhoa,rhob,sigmaaa,sigmaab,sigmabb); F000142(rhoa,rhob):= F000108(rhoa,rhob)*F000108(rhoa,rhob); F000143(rhoa,rhob):= F000142(rhoa,rhob)*F000108(rhoa,rhob); F000144(rhoa,rhob,sigmaaa,sigmaab,sigmabb):= log(F000141(rhoa,rhob,sigmaaa,sigmaab,sigmabb)); F000145(rhoa,rhob):= 0.3109069086965489E-01*F000143(rhoa,rhob); F000146(rhoa,rhob,sigmaaa,sigmaab,sigmabb):= F000145(rhoa,rhob)*F000144(rhoa,rhob,sigmaaa,sigmaab,sigmabb); F000147(rhoa,rhob,sigmaaa,sigmaab,sigmabb):= F000146(rhoa,rhob,sigmaaa,sigmaab,sigmabb)*F000009(rhoa,rhob); F000148(rhoa,rhob,sigmaaa,sigmaab,sigmabb):= F000089(rhoa,rhob)+F000147(rhoa,rhob,sigmaaa,sigmaab,sigmabb); F000149(rhoa,rhob,sigmaaa,sigmaab,sigmabb):= 0.1000000000000000E+01*F000148(rhoa,rhob,sigmaaa,sigmaab,sigmabb); F000150(rhoa,rhob,sigmaaa,sigmaab,sigmabb):= F000001+F000149(rhoa,rhob,sigmaaa,sigmaab,sigmabb); f(zeta,rhoa,rhob,rho,sigmaaa,sigmaab,sigmabb,sigma,taua,taub,tau):=F000150(rhoa,rhob,sigmaaa,sigmaab,sigmabb); F000151: 0.0000000000000000E+00; F000153: 0.0000000000000000E+00; F000154: 0.0000000000000000E+00; F000155: 0.0000000000000000E+00; F000156: 0.0000000000000000E+00; /* comp: rhoa.gt.0.5000000000000000E-18 */ F000157(rhoa):= F000153+rhoa; F000158(sigmaaa):= F000156+sigmaaa; /* comp: rhob.gt.0.5000000000000000E-18 */ /* comp: F000157(rhoa).le.0.1000000000000000E-17 */ F000159: 0.0000000000000000E+00; F000231(rhoa) := F000159 + nwxc_c_pw91lda(param(01),rhoa,F000155); F000232(rhoa):= abs(F000231(rhoa)); /* comp: F000232(rhoa).lt.0.1000000000000000E-35 */ F000233(rhoa):= 0.1000000000000000E+01/F000157(rhoa); F000234(rhoa):= F000233(rhoa)*F000233(rhoa); F000235(rhoa):= F000231(rhoa)*F000233(rhoa); F000236(rhoa):= 0.2960881320326807E+02*F000157(rhoa); F000237(rhoa):= F000236(rhoa)^0.1666666666666667E+00; F000238(rhoa):= 0.2000000000000000E+01*F000237(rhoa); F000239(rhoa):= F000238(rhoa)/0.1772453850905516E+01; F000240(rhoa,rhob):= rhoa-rhob; F000241(rhoa,rhob):= F000240(rhoa,rhob)/F000157(rhoa); /* comp: F000241(rhoa,rhob).le.-0.1000000000000000E+01 */ /* comp: F000241(rhoa,rhob).ge.0.1000000000000000E+01 */ F000242: 0.1000000000000000E+01; F000243: 0.1000000000000000E+01+F000242; F000244: 0.1000000000000000E+01-F000242; F000245: 0.0000000000000000E+00; /* comp: F000243.gt.0.1000000000000000E-09 */ F000246: F000243^(2/3); F000247: 0.5000000000000000E+00*F000246; F000248: F000245+F000247; /* comp: F000244.gt.0.1000000000000000E-09 */ F000249(rhoa):= 0.1000000000000000E+01/F000239(rhoa); F000250: 0.1000000000000000E+01/F000248; F000251: F000250*F000250; F000252: F000251*F000250; F000253: F000252*F000250; F000254(rhoa):= F000235(rhoa)*F000252; F000255(rhoa):= F000254(rhoa)/0.3109069086965489E-01; F000256(rhoa):= -(F000255(rhoa)); F000257(rhoa):= abs(F000256(rhoa)); /* comp: F000257(rhoa).lt.0.4000000000000000E+02 */ F000258(rhoa):= exp(F000256(rhoa)); F000259(rhoa):= F000258(rhoa)-0.1000000000000000E+01; F000260(rhoa):= F000259(rhoa)*F000259(rhoa); F000261: param(01)/0.3109069086965489E-01; F000262(rhoa):= F000261/F000259(rhoa); F000263(rhoa):= F000250*F000249(rhoa); F000264(rhoa):= F000263(rhoa)*F000233(rhoa); F000265(rhoa):= F000264(rhoa)/0.2000000000000000E+01; F000266(rhoa):= F000265(rhoa)^0.2000000000000000E+01; F000267(rhoa,sigmaaa):= F000158(sigmaaa)*F000266(rhoa); F000268(rhoa,sigmaaa):= F000267(rhoa,sigmaaa)*F000267(rhoa,sigmaaa); F000269(rhoa,sigmaaa):= F000262(rhoa)*F000267(rhoa,sigmaaa); F000270(rhoa,sigmaaa):= 0.1000000000000000E+01+F000269(rhoa,sigmaaa); F000271(rhoa,sigmaaa):= F000262(rhoa)*F000267(rhoa,sigmaaa); F000272(rhoa,sigmaaa):= 0.1000000000000000E+01+F000271(rhoa,sigmaaa); F000273(rhoa):= F000262(rhoa)*F000262(rhoa); F000274(rhoa,sigmaaa):= F000273(rhoa)*F000268(rhoa,sigmaaa); F000275(rhoa,sigmaaa):= F000272(rhoa,sigmaaa)+F000274(rhoa,sigmaaa); F000276(rhoa,sigmaaa):= F000275(rhoa,sigmaaa)*F000275(rhoa,sigmaaa); F000277(rhoa,sigmaaa):= F000270(rhoa,sigmaaa)/F000275(rhoa,sigmaaa); F000278: param(01)/0.3109069086965489E-01; F000279(rhoa,sigmaaa):= F000278*F000267(rhoa,sigmaaa); F000280(rhoa,sigmaaa):= F000279(rhoa,sigmaaa)*F000277(rhoa,sigmaaa); F000281(rhoa,sigmaaa):= 0.1000000000000000E+01+F000280(rhoa,sigmaaa); F000282: F000248*F000248; F000283: F000282*F000248; F000284(rhoa,sigmaaa):= log(F000281(rhoa,sigmaaa)); F000285: 0.3109069086965489E-01*F000283; F000286(rhoa,sigmaaa):= F000285*F000284(rhoa,sigmaaa); F000287(rhoa,sigmaaa):= F000286(rhoa,sigmaaa)*F000157(rhoa); F000288(rhoa,sigmaaa):= F000231(rhoa)+F000287(rhoa,sigmaaa); F000289(rhoa,sigmaaa):= 0.1000000000000000E+01*F000288(rhoa,sigmaaa); F000290(rhoa,sigmaaa):= F000151+F000289(rhoa,sigmaaa); G(rhoa,sigmaaa,taua,taub):=F000290(rhoa,sigmaaa);