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format cell param changed from f6.2 to f8.4 and from f7.3 to f9.5 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9274 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
marsamos 2012-08-08 12:07:57 +00:00
parent ee6a178c75
commit 8684921ffa
1 changed files with 7 additions and 7 deletions
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14
PW/tools/ev.f90
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@ -306,29 +306,29 @@ PROGRAM ev
IF ( fac /= 0.0_dp ) THEN
! cubic case
WRITE(iun,'("# a0 =",f6.2," a.u., k0 =",i5," kbar, dk0 =", &
WRITE(iun,'("# a0 =",f8.4," a.u., k0 =",i5," kbar, dk0 =", &
&f6.2," d2k0 =",f7.3," emin =",f11.5)') &
(par(1)/fac)**(1d0/3d0), int(par(2)), par(3), par(4), emin
WRITE(iun,'("# a0 =",f7.3," Ang, k0 =", f6.1," GPa, V0 = ", &
WRITE(iun,'("# a0 =",f9.5," Ang, k0 =", f6.1," GPa, V0 = ", &
& f7.3," (a.u.)^3, V0 =", f7.3," A^3 ",/)') &
& (par(1)/fac)**(1d0/3d0)*bohr_radius_angs, par(2)/gpa_kbar, &
par(1), par(1)*bohr_radius_angs**3
WRITE(iun,'(73("#"))')
WRITE(iun,'("# Lat.Par", 5x, "E_calc", 8x, "E_fit", 7x, &
WRITE(iun,'("# Lat.Par", 7x, "E_calc", 8x, "E_fit", 7x, &
& "E_diff", 4x, "Pressure", 6x, "Enthalpy")')
IF (in_angstrom) THEN
WRITE(iun,'("# Ang", 11x, "Ry", 11x, "Ry", 12x, &
WRITE(iun,'("# Ang", 13x, "Ry", 11x, "Ry", 12x, &
& "Ry", 8x, "GPa", 11x, "Ry")')
WRITE(iun,'(73("#"))')
WRITE(iun,'(f7.3,2x,f12.5, 2x,f12.5, f12.5, 3x, f8.2, 3x,f12.5)') &
WRITE(iun,'(f9.5,2x,f12.5, 2x,f12.5, f12.5, 3x, f8.2, 3x,f12.5)') &
& ( (v0(i)/fac)**(1d0/3d0)*bohr_radius_angs, etot(i), efit(i), &
& etot(i)-efit(i), p(i)/gpa_kbar, epv(i), i=1,npt )
ELSE
WRITE(iun,'("# a.u.",10x, "Ry", 11x, "Ry", 12x, &
WRITE(iun,'("# a.u.",12x, "Ry", 11x, "Ry", 12x, &
& "Ry", 8x, "GPa", 11x, "Ry")')
WRITE(iun,'(73("#"))')
WRITE(iun,'(f7.3,2x,f12.5, 2x,f12.5, f12.5, 3x, f8.2, 3x,f12.5)') &
WRITE(iun,'(f9.5,2x,f12.5, 2x,f12.5, f12.5, 3x, f8.2, 3x,f12.5)') &
& ( (v0(i)/fac)**(1d0/3d0), etot(i), efit(i), &
& etot(i)-efit(i), p(i)/gpa_kbar, epv(i), i=1,npt )
ENDIF