diff --git a/src/nwdft/scf_dft/dft_diagn.F b/src/nwdft/scf_dft/dft_diagn.F index 70a56e9971..cfb56449ec 100644 --- a/src/nwdft/scf_dft/dft_diagn.F +++ b/src/nwdft/scf_dft/dft_diagn.F @@ -242,6 +242,7 @@ c implicit none #include "dft_scaleig.fh" #include "global.fh" +#include "errquit.fh" integer g_s,g_svecs double precision evals(*) integer nocc,i @@ -251,7 +252,9 @@ c if(yev.eq.'v') then call ga_pdsyev(g_s, g_svecs, evals,nb) elseif(yev.eq.'x') then - call ga_pdsyevx(g_s, g_svecs, evals,nb) + call errquit(' dft:scaladiag=x no longer supported', 0, + c CAPMIS_ERR) +c call ga_pdsyevx(g_s, g_svecs, evals,nb) elseif(yev.eq.'d') then call ga_pdsyevd(g_s, g_svecs, evals,nb) #ifdef USE_PDSYEVR diff --git a/src/nwdft/scf_dft/dft_main0d.F b/src/nwdft/scf_dft/dft_main0d.F index f24a0bb280..c55b2650be 100644 --- a/src/nwdft/scf_dft/dft_main0d.F +++ b/src/nwdft/scf_dft/dft_main0d.F @@ -124,14 +124,7 @@ c #ifdef SCALAPACK call slexit call slexit2 - if (.not. rtdb_cget(rtdb, 'dft:scaladiag',1,yev)) -#ifdef USE_PDSYEVR__ - & yev='r' -#else - & yev='d' -#endif - if (.not. rtdb_get(rtdb, 'dft:scalanb',mt_int,1,nb)) - & nb=0 + call dft_utilscal(rtdb) #endif c c == Trash junk that may have remained in restart calcs ==