Diff

Index: trunk_gpaw/c/libxc/src/gga_c_pbe.c===================================================================--- trunk_gpaw/c/libxc/src/gga_c_pbe.c	(revision 5573)+++ trunk_gpaw/c/libxc/src/gga_c_pbe.c	(working copy)@@ -84,7 +84,7 @@   f3   = f2 - 1.0;    *A   = beta[func]/(gamm[func]*f3);-  if(func == 3) *A *= (1. + 0.1*rs)/(1. + 0.1778*rs);+  //if(func == 3) *A *= (1. + 0.1*rs)/(1. + 0.1778*rs);    if(order < 1) return; @@ -94,9 +94,9 @@   *dec    = dx/(gamm[func]*phi3);   *dphi   = dx*df1dphi;   *drs    = 0.0;-  if(func == 3) *drs = beta[func]*((0.1-0.1778)/POW(1+0.1778*rs,2))/(gamm[func]*f3);+  //if(func == 3) *drs = beta[func]*((0.1-0.1778)/POW(1+0.1778*rs,2))/(gamm[func]*f3); -  if(func ==3) return;+  //if(func ==3) return;   if(order < 2) return;    d2f1dphi2 = -4.0*df1dphi/phi;@@ -132,22 +132,22 @@        df1dt  = t*(2.0 + 4.0*A*t2);   df2dt  = beta[func]/(gamm[func]*f3*f3) * df1dt;-  if(func == 3) df2dt*=(1. + 0.1*rs)/(1. + 0.1778*rs);+  //if(func == 3) df2dt*=(1. + 0.1*rs)/(1. + 0.1778*rs);   *dt    = gamm[func]*phi3*df2dt/(1.0 + f2);        df1dA  = t2*t2;   df2dA  = beta[func]/(gamm[func]*f3*f3) * (df1dA - f1*f1);-  if(func == 3) df2dA *= (1. + 0.1*rs)/(1. + 0.1778*rs);+  //if(func == 3) df2dA *= (1. + 0.1*rs)/(1. + 0.1778*rs);   *dA    = gamm[func]*phi3*df2dA/(1.0 + f2);    df2drs = 0.0;   *drs = 0.0;-  if(func == 3){+  /*if(func == 3){  	  df2drs = beta[func]*((0.1-0.1778)/POW(1+0.1778*rs,2))*f1/(gamm[func]*f3); 	  *drs = gamm[func]*phi3*df2drs/(1.0 + f2);   } -  if(func ==3) return;+  if(func ==3) return;*/   if(order < 2) return;    *d2phi  = 2.0*(*dphi)/phi;