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x
type energy
sequence
real(dp) :: & ! all energies in Rydbergs
inputfermi, & ! fermi energy as given by input
afmagmom, & ! antiferromagnetic sublattice moment in Bohr
vxc0(2), & ! spin up and down of the xc potential at G=0
magnetic, & ! magnetic energy due to external field
hxc, & ! hartree exchange-correlation correction
xc, & ! the exchange-correlation energy
ewald, & ! ewald energy, with compensating background
eband, & ! band energy
ion, & ! ion-electron energy
nloc, & ! nonlocal energy contribution
hartree, & ! hartree electron-electron energy
ektot, & ! total kinetic energy
esmear, & ! smearing energy contribution
efermi(2), & ! fermi energy for both spins
evalshift(2), & ! shift of the energy eigenvalues
total, & ! the total energy
totnonv, & ! etot - 1/2 TS term, is not variational
! it is the estimate of the zero T energy
alpha ! the alpha term which contains divergences
end type energy
type(energy) oldenergs
constants.f90: real(dp), parameter :: dzero = 0.0d0
oldenergs=dzero
这个居然可以这么赋值。。。。
是不是整体赋值?
我以为编译不成功了。。可是ifort居然可以编译成功
这可惜gfortran 编译不成功?我要怎么做?gfortran 也可以编译成功?类型转换?
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