Commit e3e500a1 authored by Gregor Michalicek's avatar Gregor Michalicek
Browse files

Shortened a line in out.xml improve human readability
parent d0da8ed5
...@@ -217,12 +217,12 @@ CONTAINS ...@@ -217,12 +217,12 @@ CONTAINS
WRITE(attributes(1),'(i0)') jatom WRITE(attributes(1),'(i0)') jatom
WRITE(attributes(2),'(i0)') NINT(z) WRITE(attributes(2),'(i0)') NINT(z)
WRITE(attributes(3),'(i0)') jspin WRITE(attributes(3),'(i0)') jspin
WRITE(attributes(4),'(f20.10)') tec WRITE(attributes(4),'(f18.10)') tec
WRITE(attributes(5),'(f20.10)') sume WRITE(attributes(5),'(f18.10)') sume
WRITE(attributes(6),'(f14.10)') q/input%jspins WRITE(attributes(6),'(f9.6)') q/input%jspins
CALL openXMLElementForm('coreStates',(/'atomType ','atomicNumber ','spin ','kinEnergy ',& CALL openXMLElementForm('coreStates',(/'atomType ','atomicNumber ','spin ','kinEnergy ',&
'eigenvalueSum','lostElectrons'/),& 'eigValSum ','lostElectrons'/),&
attributes,reshape((/8,12,4,9,13,13,6,3,1,20,20,14/),(/6,2/))) attributes,reshape((/8,12,4,9,9,13,6,3,1,18,18,9/),(/6,2/)))
DO korb = 1, atoms%ncst(jatom) DO korb = 1, atoms%ncst(jatom)
fj = iabs(kappa(korb)) - .5e0 fj = iabs(kappa(korb)) - .5e0
weight = 2*fj + 1.e0 weight = 2*fj + 1.e0
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