Commit d80a4fd6 authored by Gregor Michalicek's avatar Gregor Michalicek

Improve output for fractional core state occupations in out file

parent 28a506d5
......@@ -224,7 +224,7 @@ CONTAINS
8000 FORMAT (/,/,10x,'z=',f4.0,5x,'r(1)=',e14.6,5x,'dx=',f9.6,5x,&
& 'm.t.index=',i4,/,15x,'n',4x,'l',5x,'j',4x,'energy',7x,&
& 'weight')
8010 FORMAT (12x,2f5.0,f6.1,f10.4,f10.0)
8010 FORMAT (12x,2f5.0,f6.1,f10.4,f12.4)
8020 FORMAT (f20.8,' electrons lost from core.')
8030 FORMAT (10x,'atom type',i3,' (spin',i2,') ',/,10x,&
& 'kinetic energy=',e20.12,5x,'sum of the eigenvalues=',&
......
......@@ -127,7 +127,7 @@ CONTAINS
ENDDO
8000 FORMAT (/,/,10x,'z=',f4.0,5x,'r(1)=',e14.6,5x,'dx=',f8.6,5x,&
'm.t.index=',i4,/,15x,'n',4x,'l',5x,'j',4x,'energy',7x, 'weight')
8010 FORMAT (12x,2f5.0,f6.1,f10.4,f10.0)
8010 FORMAT (12x,2f5.0,f6.1,f10.4,f12.4)
8020 FORMAT (/,/,12x,'core e.v. initialization')
END SUBROUTINE etabinit
......
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