1doi: "10.1103/PhysRevLett.77.3865"; 2reference: "JP Perdew, K Burke, M Ernzerhof, Phys.Rev.Lett. 77, 3865 (1996) "; 3F000001: 0.0000000000000000E+00; 4F000003: 0.0000000000000000E+00; 5F000004: 0.0000000000000000E+00; 6F000005: 0.0000000000000000E+00; 7F000006: 0.0000000000000000E+00; 8/* comp: rhoa.gt.0.5000000000000000E-18 9*/ 10F000007(rhoa):= F000003+rhoa; 11F000008(sigmaaa):= F000006+sigmaaa; 12/* comp: rhob.gt.0.5000000000000000E-18 13*/ 14F000009(rhoa,rhob):= F000007(rhoa)+rhob; 15F000010(sigmaaa,sigmabb):= F000008(sigmaaa)+sigmabb; 16/* comp: rhoa.gt.0.5000000000000000E-18 17*/ 18F000011(sigmaab):= 0.2000000000000000E+01*sigmaab; 19F000012(sigmaaa,sigmaab,sigmabb):= F000010(sigmaaa,sigmabb)+F000011(sigmaab); 20/* comp: F000009(rhoa,rhob).le.0.1000000000000000E-17 21*/ 22F000013: 0.0000000000000000E+00; 23F000089(rhoa,rhob) := F000013 + nwxc_c_pw91lda(param(01),rhoa,rhob); 24F000090(rhoa,rhob):= abs(F000089(rhoa,rhob)); 25/* comp: F000090(rhoa,rhob).lt.0.1000000000000000E-35 26*/ 27F000091(rhoa,rhob):= 0.1000000000000000E+01/F000009(rhoa,rhob); 28F000092(rhoa,rhob):= F000091(rhoa,rhob)*F000091(rhoa,rhob); 29F000093(rhoa,rhob):= F000089(rhoa,rhob)*F000091(rhoa,rhob); 30F000094(rhoa,rhob):= 0.2960881320326807E+02*F000009(rhoa,rhob); 31F000095(rhoa,rhob):= F000094(rhoa,rhob)^0.1666666666666667E+00; 32F000096(rhoa,rhob):= 0.2000000000000000E+01*F000095(rhoa,rhob); 33F000097(rhoa,rhob):= F000096(rhoa,rhob)/0.1772453850905516E+01; 34F000098(rhoa,rhob):= rhoa-rhob; 35F000099(rhoa,rhob):= F000098(rhoa,rhob)/F000009(rhoa,rhob); 36/* comp: F000099(rhoa,rhob).le.-0.1000000000000000E+01 37*/ 38/* comp: F000099(rhoa,rhob).ge.0.1000000000000000E+01 39*/ 40F000100(rhoa,rhob):= 0.1000000000000000E+01+F000099(rhoa,rhob); 41F000101(rhoa,rhob):= 0.1000000000000000E+01-F000099(rhoa,rhob); 42F000102: 0.0000000000000000E+00; 43/* comp: F000100(rhoa,rhob).gt.0.1000000000000000E-09 44*/ 45F000103(rhoa,rhob):= F000100(rhoa,rhob)^(2/3); 46F000104(rhoa,rhob):= 0.5000000000000000E+00*F000103(rhoa,rhob); 47F000105(rhoa,rhob):= F000102+F000104(rhoa,rhob); 48/* comp: F000101(rhoa,rhob).gt.0.1000000000000000E-09 49*/ 50F000106(rhoa,rhob):= F000101(rhoa,rhob)^(2/3); 51F000107(rhoa,rhob):= 0.5000000000000000E+00*F000106(rhoa,rhob); 52F000108(rhoa,rhob):= F000105(rhoa,rhob)+F000107(rhoa,rhob); 53F000109(rhoa,rhob):= 0.1000000000000000E+01/F000097(rhoa,rhob); 54F000110(rhoa,rhob):= 0.1000000000000000E+01/F000108(rhoa,rhob); 55F000111(rhoa,rhob):= F000110(rhoa,rhob)*F000110(rhoa,rhob); 56F000112(rhoa,rhob):= F000111(rhoa,rhob)*F000110(rhoa,rhob); 57F000113(rhoa,rhob):= F000112(rhoa,rhob)*F000110(rhoa,rhob); 58F000114(rhoa,rhob):= F000093(rhoa,rhob)*F000112(rhoa,rhob); 59F000115(rhoa,rhob):= F000114(rhoa,rhob)/0.3109069086965489E-01; 60F000116(rhoa,rhob):= -(F000115(rhoa,rhob)); 61F000117(rhoa,rhob):= abs(F000116(rhoa,rhob)); 62/* comp: F000117(rhoa,rhob).lt.0.4000000000000000E+02 63*/ 64F000118(rhoa,rhob):= exp(F000116(rhoa,rhob)); 65F000119(rhoa,rhob):= F000118(rhoa,rhob)-0.1000000000000000E+01; 66F000120(rhoa,rhob):= F000119(rhoa,rhob)*F000119(rhoa,rhob); 67F000121: param(01)/0.3109069086965489E-01; 68F000122(rhoa,rhob):= F000121/F000119(rhoa,rhob); 69F000123(rhoa,rhob):= F000110(rhoa,rhob)*F000109(rhoa,rhob); 70F000124(rhoa,rhob):= F000123(rhoa,rhob)*F000091(rhoa,rhob); 71F000125(rhoa,rhob):= F000124(rhoa,rhob)/0.2000000000000000E+01; 72F000126(rhoa,rhob):= F000125(rhoa,rhob)^0.2000000000000000E+01; 73F000127(rhoa,rhob,sigmaaa,sigmaab,sigmabb):= F000012(sigmaaa,sigmaab,sigmabb)*F000126(rhoa,rhob); 74F000128(rhoa,rhob,sigmaaa,sigmaab,sigmabb):= F000127(rhoa,rhob,sigmaaa,sigmaab,sigmabb)*F000127(rhoa,rhob,sigmaaa,sigmaab,sigmabb); 75F000129(rhoa,rhob,sigmaaa,sigmaab,sigmabb):= F000122(rhoa,rhob)*F000127(rhoa,rhob,sigmaaa,sigmaab,sigmabb); 76F000130(rhoa,rhob,sigmaaa,sigmaab,sigmabb):= 0.1000000000000000E+01+F000129(rhoa,rhob,sigmaaa,sigmaab,sigmabb); 77F000131(rhoa,rhob,sigmaaa,sigmaab,sigmabb):= F000122(rhoa,rhob)*F000127(rhoa,rhob,sigmaaa,sigmaab,sigmabb); 78F000132(rhoa,rhob,sigmaaa,sigmaab,sigmabb):= 0.1000000000000000E+01+F000131(rhoa,rhob,sigmaaa,sigmaab,sigmabb); 79F000133(rhoa,rhob):= F000122(rhoa,rhob)*F000122(rhoa,rhob); 80F000134(rhoa,rhob,sigmaaa,sigmaab,sigmabb):= F000133(rhoa,rhob)*F000128(rhoa,rhob,sigmaaa,sigmaab,sigmabb); 81F000135(rhoa,rhob,sigmaaa,sigmaab,sigmabb):= F000132(rhoa,rhob,sigmaaa,sigmaab,sigmabb)+F000134(rhoa,rhob,sigmaaa,sigmaab,sigmabb); 82F000136(rhoa,rhob,sigmaaa,sigmaab,sigmabb):= F000135(rhoa,rhob,sigmaaa,sigmaab,sigmabb)*F000135(rhoa,rhob,sigmaaa,sigmaab,sigmabb); 83F000137(rhoa,rhob,sigmaaa,sigmaab,sigmabb):= F000130(rhoa,rhob,sigmaaa,sigmaab,sigmabb)/F000135(rhoa,rhob,sigmaaa,sigmaab,sigmabb); 84F000138: param(01)/0.3109069086965489E-01; 85F000139(rhoa,rhob,sigmaaa,sigmaab,sigmabb):= F000138*F000127(rhoa,rhob,sigmaaa,sigmaab,sigmabb); 86F000140(rhoa,rhob,sigmaaa,sigmaab,sigmabb):= F000139(rhoa,rhob,sigmaaa,sigmaab,sigmabb)*F000137(rhoa,rhob,sigmaaa,sigmaab,sigmabb); 87F000141(rhoa,rhob,sigmaaa,sigmaab,sigmabb):= 0.1000000000000000E+01+F000140(rhoa,rhob,sigmaaa,sigmaab,sigmabb); 88F000142(rhoa,rhob):= F000108(rhoa,rhob)*F000108(rhoa,rhob); 89F000143(rhoa,rhob):= F000142(rhoa,rhob)*F000108(rhoa,rhob); 90F000144(rhoa,rhob,sigmaaa,sigmaab,sigmabb):= log(F000141(rhoa,rhob,sigmaaa,sigmaab,sigmabb)); 91F000145(rhoa,rhob):= 0.3109069086965489E-01*F000143(rhoa,rhob); 92F000146(rhoa,rhob,sigmaaa,sigmaab,sigmabb):= F000145(rhoa,rhob)*F000144(rhoa,rhob,sigmaaa,sigmaab,sigmabb); 93F000147(rhoa,rhob,sigmaaa,sigmaab,sigmabb):= F000146(rhoa,rhob,sigmaaa,sigmaab,sigmabb)*F000009(rhoa,rhob); 94F000148(rhoa,rhob,sigmaaa,sigmaab,sigmabb):= F000089(rhoa,rhob)+F000147(rhoa,rhob,sigmaaa,sigmaab,sigmabb); 95F000149(rhoa,rhob,sigmaaa,sigmaab,sigmabb):= 0.1000000000000000E+01*F000148(rhoa,rhob,sigmaaa,sigmaab,sigmabb); 96F000150(rhoa,rhob,sigmaaa,sigmaab,sigmabb):= F000001+F000149(rhoa,rhob,sigmaaa,sigmaab,sigmabb); 97f(zeta,rhoa,rhob,rho,sigmaaa,sigmaab,sigmabb,sigma,taua,taub,tau):=F000150(rhoa,rhob,sigmaaa,sigmaab,sigmabb); 98F000151: 0.0000000000000000E+00; 99F000153: 0.0000000000000000E+00; 100F000154: 0.0000000000000000E+00; 101F000155: 0.0000000000000000E+00; 102F000156: 0.0000000000000000E+00; 103/* comp: rhoa.gt.0.5000000000000000E-18 104*/ 105F000157(rhoa):= F000153+rhoa; 106F000158(sigmaaa):= F000156+sigmaaa; 107/* comp: rhob.gt.0.5000000000000000E-18 108*/ 109/* comp: F000157(rhoa).le.0.1000000000000000E-17 110*/ 111F000159: 0.0000000000000000E+00; 112F000231(rhoa) := F000159 + nwxc_c_pw91lda(param(01),rhoa,F000155); 113F000232(rhoa):= abs(F000231(rhoa)); 114/* comp: F000232(rhoa).lt.0.1000000000000000E-35 115*/ 116F000233(rhoa):= 0.1000000000000000E+01/F000157(rhoa); 117F000234(rhoa):= F000233(rhoa)*F000233(rhoa); 118F000235(rhoa):= F000231(rhoa)*F000233(rhoa); 119F000236(rhoa):= 0.2960881320326807E+02*F000157(rhoa); 120F000237(rhoa):= F000236(rhoa)^0.1666666666666667E+00; 121F000238(rhoa):= 0.2000000000000000E+01*F000237(rhoa); 122F000239(rhoa):= F000238(rhoa)/0.1772453850905516E+01; 123F000240(rhoa,rhob):= rhoa-rhob; 124F000241(rhoa,rhob):= F000240(rhoa,rhob)/F000157(rhoa); 125/* comp: F000241(rhoa,rhob).le.-0.1000000000000000E+01 126*/ 127/* comp: F000241(rhoa,rhob).ge.0.1000000000000000E+01 128*/ 129F000242: 0.1000000000000000E+01; 130F000243: 0.1000000000000000E+01+F000242; 131F000244: 0.1000000000000000E+01-F000242; 132F000245: 0.0000000000000000E+00; 133/* comp: F000243.gt.0.1000000000000000E-09 134*/ 135F000246: F000243^(2/3); 136F000247: 0.5000000000000000E+00*F000246; 137F000248: F000245+F000247; 138/* comp: F000244.gt.0.1000000000000000E-09 139*/ 140F000249(rhoa):= 0.1000000000000000E+01/F000239(rhoa); 141F000250: 0.1000000000000000E+01/F000248; 142F000251: F000250*F000250; 143F000252: F000251*F000250; 144F000253: F000252*F000250; 145F000254(rhoa):= F000235(rhoa)*F000252; 146F000255(rhoa):= F000254(rhoa)/0.3109069086965489E-01; 147F000256(rhoa):= -(F000255(rhoa)); 148F000257(rhoa):= abs(F000256(rhoa)); 149/* comp: F000257(rhoa).lt.0.4000000000000000E+02 150*/ 151F000258(rhoa):= exp(F000256(rhoa)); 152F000259(rhoa):= F000258(rhoa)-0.1000000000000000E+01; 153F000260(rhoa):= F000259(rhoa)*F000259(rhoa); 154F000261: param(01)/0.3109069086965489E-01; 155F000262(rhoa):= F000261/F000259(rhoa); 156F000263(rhoa):= F000250*F000249(rhoa); 157F000264(rhoa):= F000263(rhoa)*F000233(rhoa); 158F000265(rhoa):= F000264(rhoa)/0.2000000000000000E+01; 159F000266(rhoa):= F000265(rhoa)^0.2000000000000000E+01; 160F000267(rhoa,sigmaaa):= F000158(sigmaaa)*F000266(rhoa); 161F000268(rhoa,sigmaaa):= F000267(rhoa,sigmaaa)*F000267(rhoa,sigmaaa); 162F000269(rhoa,sigmaaa):= F000262(rhoa)*F000267(rhoa,sigmaaa); 163F000270(rhoa,sigmaaa):= 0.1000000000000000E+01+F000269(rhoa,sigmaaa); 164F000271(rhoa,sigmaaa):= F000262(rhoa)*F000267(rhoa,sigmaaa); 165F000272(rhoa,sigmaaa):= 0.1000000000000000E+01+F000271(rhoa,sigmaaa); 166F000273(rhoa):= F000262(rhoa)*F000262(rhoa); 167F000274(rhoa,sigmaaa):= F000273(rhoa)*F000268(rhoa,sigmaaa); 168F000275(rhoa,sigmaaa):= F000272(rhoa,sigmaaa)+F000274(rhoa,sigmaaa); 169F000276(rhoa,sigmaaa):= F000275(rhoa,sigmaaa)*F000275(rhoa,sigmaaa); 170F000277(rhoa,sigmaaa):= F000270(rhoa,sigmaaa)/F000275(rhoa,sigmaaa); 171F000278: param(01)/0.3109069086965489E-01; 172F000279(rhoa,sigmaaa):= F000278*F000267(rhoa,sigmaaa); 173F000280(rhoa,sigmaaa):= F000279(rhoa,sigmaaa)*F000277(rhoa,sigmaaa); 174F000281(rhoa,sigmaaa):= 0.1000000000000000E+01+F000280(rhoa,sigmaaa); 175F000282: F000248*F000248; 176F000283: F000282*F000248; 177F000284(rhoa,sigmaaa):= log(F000281(rhoa,sigmaaa)); 178F000285: 0.3109069086965489E-01*F000283; 179F000286(rhoa,sigmaaa):= F000285*F000284(rhoa,sigmaaa); 180F000287(rhoa,sigmaaa):= F000286(rhoa,sigmaaa)*F000157(rhoa); 181F000288(rhoa,sigmaaa):= F000231(rhoa)+F000287(rhoa,sigmaaa); 182F000289(rhoa,sigmaaa):= 0.1000000000000000E+01*F000288(rhoa,sigmaaa); 183F000290(rhoa,sigmaaa):= F000151+F000289(rhoa,sigmaaa); 184G(rhoa,sigmaaa,taua,taub):=F000290(rhoa,sigmaaa); 185