get_params_1b Subroutine
- Philipp Ruessmann
-
- communication, KKRhost
- 223 statements
- Source File
public subroutine get_params_1b(t_params, natypd, naezd, natyp, naclsd, ielast, npol, nclsd, nrefd, nref, nembd, naez, nsra, ins, nspin, lmax, ncls, lly, krel, atom, cls, nacls, refpot, ez, itmpdir, iltmp, alat, rcls, iemxd, rmtref, vref, tmpdir, nsheld, nprincd, kpoibz, atomimp, natomimpd, icc, igf, nlbasis, nrbasis, ncpa, icpa, itcpamax, cpatol, nrd, ideci, rbasis, rr, ezoa, nshell, kmrot, kaoez, ish, jsh, nsh1, nsh2, noq, iqat, nofgij, natomimp, conc, kmesh, maxmesh, nsymat, nqcalc, ratom, rrot, drotq, ijtabcalc, ijtabcalc_i, ijtabsym, ijtabsh, iqcalc, dsymll, invmod, icheck, symunitary, rc, crel, rrel, srrel, nrrel, irrel, lefttinvll, righttinvll, vacflag, nofks, volbz, bzkp, volcub, wez, nembd1, lmmaxd, nspindd, maxmshd, rclsimp)
Uses
-
- mod_runoptions
Set the values of the local variables according to the stored t_params
so that they can be passed between different control modules, specifically for main1b
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(type_params), | intent(in) | :: | t_params | |||
| integer, | intent(in) | :: | natypd | |||
| integer, | intent(in) | :: | naezd | |||
| integer, | intent(out) | :: | natyp | |||
| integer, | intent(in) | :: | naclsd | |||
| integer, | intent(inout) | :: | ielast | |||
| integer, | intent(inout) | :: | npol | |||
| integer, | intent(in) | :: | nclsd | |||
| integer, | intent(in) | :: | nrefd | |||
| integer, | intent(out) | :: | nref | |||
| integer, | intent(in) | :: | nembd | |||
| integer, | intent(out) | :: | naez | |||
| integer, | intent(inout) | :: | nsra | |||
| integer, | intent(inout) | :: | ins | |||
| integer, | intent(inout) | :: | nspin | |||
| integer, | intent(inout) | :: | lmax | |||
| integer, | intent(inout) | :: | ncls | |||
| integer, | intent(inout) | :: | lly | |||
| integer, | intent(in) | :: | krel | |||
| integer, | intent(inout), | dimension (naclsd, naezd+nembd) | :: | atom | ||
| integer, | intent(inout), | dimension (naezd+nembd) | :: | cls | ||
| integer, | intent(inout), | dimension (nclsd) | :: | nacls | ||
| integer, | intent(inout), | dimension (naezd+nembd) | :: | refpot | ||
| complex(kind=dp), | intent(inout), | dimension (iemxd) | :: | ez | ||
| integer, | intent(inout) | :: | itmpdir | |||
| integer, | intent(inout) | :: | iltmp | |||
| real(kind=dp), | intent(inout) | :: | alat | |||
| real(kind=dp), | intent(inout), | dimension (3, naclsd, nclsd) | :: | rcls | ||
| integer, | intent(in) | :: | iemxd | |||
| real(kind=dp), | intent(inout), | dimension (nrefd) | :: | rmtref | ||
| real(kind=dp), | intent(inout), | dimension (nrefd) | :: | vref | ||
| character(len=80), | intent(inout) | :: | tmpdir | |||
| integer, | intent(in) | :: | nsheld | |||
| integer, | intent(in) | :: | nprincd | |||
| integer, | intent(in) | :: | kpoibz | |||
| integer, | intent(inout), | dimension (natomimpd) | :: | atomimp | ||
| integer, | intent(in) | :: | natomimpd | |||
| integer, | intent(inout) | :: | icc | |||
| integer, | intent(inout) | :: | igf | |||
| integer, | intent(inout) | :: | nlbasis | |||
| integer, | intent(inout) | :: | nrbasis | |||
| integer, | intent(inout) | :: | ncpa | |||
| integer, | intent(inout), | dimension (naezd) | :: | icpa | ||
| integer, | intent(inout) | :: | itcpamax | |||
| real(kind=dp), | intent(inout) | :: | cpatol | |||
| integer, | intent(in) | :: | nrd | |||
| integer, | intent(inout) | :: | ideci | |||
| real(kind=dp), | intent(inout), | dimension (3, naezd+nembd) | :: | rbasis | ||
| real(kind=dp), | intent(inout), | dimension (3, 0:nrd) | :: | rr | ||
| integer, | intent(inout), | dimension (naclsd, naezd+nembd) | :: | ezoa | ||
| integer, | intent(inout), | dimension (0:nsheld) | :: | nshell | ||
| integer, | intent(inout) | :: | kmrot | |||
| integer, | intent(inout), | dimension (natypd, naezd+nembd) | :: | kaoez | ||
| integer, | intent(inout), | dimension (nsheld, 2*nsymaxd) | :: | ish | ||
| integer, | intent(inout), | dimension (nsheld, 2*nsymaxd) | :: | jsh | ||
| integer, | intent(inout), | dimension (nsheld) | :: | nsh1 | ||
| integer, | intent(inout), | dimension (nsheld) | :: | nsh2 | ||
| integer, | intent(inout), | dimension (naezd) | :: | noq | ||
| integer, | intent(inout), | dimension (natypd) | :: | iqat | ||
| integer, | intent(inout) | :: | nofgij | |||
| integer, | intent(inout) | :: | natomimp | |||
| real(kind=dp), | intent(inout), | dimension (natypd) | :: | conc | ||
| integer, | intent(inout), | dimension (iemxd) | :: | kmesh | ||
| integer, | intent(inout) | :: | maxmesh | |||
| integer, | intent(inout) | :: | nsymat | |||
| integer, | intent(inout) | :: | nqcalc | |||
| real(kind=dp), | intent(inout), | dimension (3, nsheld) | :: | ratom | ||
| real(kind=dp), | intent(inout), | dimension (48, 3, nsheld) | :: | rrot | ||
| complex(kind=dp), | intent(inout), | dimension (lmmaxd, lmmaxd, naezd) | :: | drotq | ||
| integer, | intent(inout), | dimension (nofgij) | :: | ijtabcalc | ||
| integer, | intent(inout), | dimension (nofgij) | :: | ijtabcalc_i | ||
| integer, | intent(inout), | dimension (nofgij) | :: | ijtabsym | ||
| integer, | intent(inout), | dimension (nofgij) | :: | ijtabsh | ||
| integer, | intent(inout), | dimension (naezd) | :: | iqcalc | ||
| complex(kind=dp), | intent(inout), | dimension (lmmaxd, lmmaxd, nsymaxd) | :: | dsymll | ||
| integer, | intent(inout) | :: | invmod | |||
| integer, | intent(inout), | dimension (naezd/nprincd, naezd/nprincd) | :: | icheck | ||
| logical, | intent(inout), | dimension (nsymaxd) | :: | symunitary | ||
| complex(kind=dp), | intent(inout), | dimension (lmmaxd, lmmaxd) | :: | rc | ||
| complex(kind=dp), | intent(inout), | dimension (lmmaxd, lmmaxd) | :: | crel | ||
| complex(kind=dp), | intent(inout), | dimension (lmmaxd, lmmaxd) | :: | rrel | ||
| complex(kind=dp), | intent(inout), | dimension (2, 2, lmmaxd) | :: | srrel | ||
| integer, | intent(inout), | dimension (2, lmmaxd) | :: | nrrel | ||
| integer, | intent(inout), | dimension (2, 2, lmmaxd) | :: | irrel | ||
| complex(kind=dp), | intent(inout), | dimension (lmmaxd, lmmaxd, nembd1, nspindd, iemxd) | :: | lefttinvll | ||
| complex(kind=dp), | intent(inout), | dimension (lmmaxd, lmmaxd, nembd1, nspindd, iemxd) | :: | righttinvll | ||
| logical, | intent(inout), | dimension (2) | :: | vacflag | ||
| integer, | intent(inout), | dimension (maxmshd) | :: | nofks | ||
| real(kind=dp), | intent(inout), | dimension (maxmshd) | :: | volbz | ||
| real(kind=dp), | intent(inout), | dimension (3, kpoibz, maxmshd) | :: | bzkp | ||
| real(kind=dp), | intent(inout), | dimension (kpoibz, maxmshd) | :: | volcub | ||
| complex(kind=dp), | intent(inout), | dimension (iemxd) | :: | wez | ||
| integer, | intent(in) | :: | nembd1 | |||
| integer, | intent(in) | :: | lmmaxd | |||
| integer, | intent(in) | :: | nspindd | |||
| integer, | intent(in) | :: | maxmshd | |||
| real(kind=dp), | intent(inout), | dimension (3, natomimpd) | :: | rclsimp |