8
8
subroutine diag2g( nuo, no, maxnh, maxnd, maxo,
9
9
. numh, listhptr, listh, numd, listdptr,
10
10
. listd, H, S, getD, qtot, temp, e1, e2,
11
. eo, qo, Dnew, Enew, ef, Entropy, psi,
11
. eo, qo, Dnew, Enew, ef, Entropy,
12
13
. nuotot, occtol, iscf, neigwanted)