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Commit 801a0a1c authored by Paul-Gerhard Reinhard's avatar Paul-Gerhard Reinhard
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UNEDF1 parameters corrected

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...@@ -77,9 +77,9 @@ ...@@ -77,9 +77,9 @@
0.321956, Pairing(232.10945,240.06092,0D0), Pairing(0D0,0D0,0D0)), & ! power,VDI,DDDI 0.321956, Pairing(232.10945,240.06092,0D0), Pairing(0D0,0D0,0D0)), & ! power,VDI,DDDI
!************************************************************************* !*************************************************************************
Force('UNEDF1',1,-1, (/20.73553,20.73553/), & ! Name,ex,zpe,h2m Force('UNEDF1',1,-1, (/20.73553,20.73553/), & ! Name,ex,zpe,h2m
-2078.328,239.401,1574.243,14263.646,76.736, & ! t0,t1,t2,t3,t4 -2078.32802326,239.40081204,1575.11954190,14263.64624708,76.73614412, & ! t0,t1,t2,t3,t4
0.54304371E-01,-5.0781477 ,-1.3665705 ,-.16116885 ,71.31652, & !x0,x1,x2,x3,b4p 0.5375692E-01,-5.07723238,-1.36650561,-0.16249117,71.3165223, & !x0,x1,x2,x3,b4p
0.270018, Pairing(253.09138,258.11805,0D0), Pairing(794.347,728.069,0.17726)), & ! power,VDI,DDDI 0.27001801, Pairing(253.09138,258.11805,0D0), Pairing(0D0,0D0,0D0)), & ! power,VDI,DDDI
!************************************************************************* !*************************************************************************
Force('TOV',1,1, (/20.73553,20.73553/), & ! Name,ex,zpe,h2m Force('TOV',1,1, (/20.73553,20.73553/), & ! Name,ex,zpe,h2m
-2129.734632,305.3978920,362.5321529,13957.06425,74.14713700, & ! t0,t1,t2,t3,t4 -2129.734632,305.3978920,362.5321529,13957.06425,74.14713700, & ! t0,t1,t2,t3,t4
......
...@@ -172,7 +172,7 @@ CONTAINS ...@@ -172,7 +172,7 @@ CONTAINS
ENDIF ENDIF
! turn off zpe if desired ! turn off zpe if desired
IF(turnoff_zpe) THEN IF(turnoff_zpe) THEN
f%zpe=1 f%zpe=-1
WRITE(*,*) '***** Zero-point-energy correction turned off' WRITE(*,*) '***** Zero-point-energy correction turned off'
END IF END IF
! calculate "b" and Slater coefficients ! calculate "b" and Slater coefficients
......
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