Commit 1313ea56 authored by Daniel Wortmann's avatar Daniel Wortmann

Fixed old typo in output

parent 1ff09997
......@@ -36,8 +36,8 @@ SUBROUTINE magMoms(dimension,input,atoms,noco,vTot,moments)
END DO
8000 FORMAT (/,/,10x,'spin density at the nucleus:',/,10x,'type',t25,&
'input%total',t42,'valence',t65,'core',t90,&
'majority valence and input%total density',/)
'total',t42,'valence',t65,'core',t90,&
'majority valence and total density',/)
8010 FORMAT (i13,2x,3e20.8,5x,2e20.8)
WRITE (6,FMT=8020)
......
......@@ -229,8 +229,8 @@ CONTAINS
CALL writeXMLElementFormPoly('freeEnergy',(/'value'/),(/results%tote-results%ts/),reshape((/38,20/),(/1,2/)))
CALL writeXMLElementFormPoly('extrapolationTo0K',(/'value'/),(/results%tote-0.5e0*results%ts/),reshape((/31,20/),(/1,2/)))
CALL closeXMLElement('totalEnergy')
8060 FORMAT (/,/,' ----> input%total energy=',t40,f20.10,' htr')
8061 FORMAT (/,/,' ----> HF input%total energy=',t40,f20.10,' htr')
8060 FORMAT (/,/,' ----> total energy=',t40,f20.10,' htr')
8061 FORMAT (/,/,' ----> HF total energy=',t40,f20.10,' htr')
8050 FORMAT (/,10x,'Madelung term for atom type:',i3,t40,f20.10)
8045 FORMAT (/,10x,'el.-nucl. inter. diff. m.t.',t40,f20.10)
8065 FORMAT (/,/,' ----> (input%tkb*entropy) TS=',t40,f20.10,' htr')
......@@ -238,9 +238,9 @@ CONTAINS
8070 FORMAT (/,/,' ----> free energy=',t40,f20.10,' htr')
8071 FORMAT (/,/,' ----> HF free energy=',t40,f20.10,' htr')
8080 FORMAT (/,/,' extrapolation for T->0',&
/,' ----> input%total electron energy=',t40,f20.10,' htr')
/,' ----> total electron energy=',t40,f20.10,' htr')
8081 FORMAT (/,/,' extrapolation for T->0',&
/,' ----> HF input%total electron energy=',t40,f20.10,' htr')
/,' ----> HF total electron energy=',t40,f20.10,' htr')
8090 FORMAT (/,/,' ----> correction for lda+U =',t40,f20.10,' htr')
ENDIF
CALL force_w(mpi,input,atoms,sym,results,cell,oneD,vacuum)
......
Markdown is supported
0% or
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment