Type | Attributes | Name | Initial | |||
---|---|---|---|---|---|---|
logical | :: | lspin | ||||
logical | :: | lfvel | ||||
logical | :: | lcond | ||||
logical | :: | lcond2 | ||||
logical | :: | lpairs | ||||
character(len=256) | :: | filemode | ||||
character(len=256) | :: | filename | ||||
type(inc_TYPE) | :: | inc | ||||
type(lattice_TYPE) | :: | lattice | ||||
type(cluster_TYPE) | :: | cluster | ||||
type(tgmatrx_TYPE) | :: | tgmatrx | ||||
integer | :: | nsym | ||||
integer | :: | nsym2 | ||||
integer, | allocatable | :: | isym(:) | |||
type(symmetries_TYPE) | :: | symmetries | ||||
integer | :: | nkpts | ||||
integer | :: | nkpts_all | ||||
integer | :: | nkpts_int | ||||
integer | :: | nkpts_int_all | ||||
integer | :: | nkpts_vis_all | ||||
integer | :: | nkpts_inp_all | ||||
integer, | allocatable | :: | kpt2irr(:) | |||
integer, | allocatable | :: | irr2kpt(:) | |||
integer, | allocatable | :: | vis2int(:) | |||
integer, | allocatable | :: | ipairs(:) | |||
double precision | :: | tau_avg | ||||
double precision, | allocatable | :: | kpoints(:,:) | |||
double precision, | allocatable | :: | areas(:) | |||
double precision, | allocatable | :: | weights(:) | |||
double precision, | allocatable | :: | fermivel(:,:) | |||
double precision, | allocatable | :: | fermivel_2(:,:) | |||
double precision, | allocatable | :: | meanfreepath(:,:,:) | |||
double precision, | allocatable | :: | meanfreepath_sum(:) | |||
double precision, | allocatable | :: | tauk(:) | |||
double precision, | allocatable | :: | tauk2(:) | |||
double precision, | allocatable | :: | kpoints_2(:,:) | |||
double precision, | allocatable | :: | kpoints_3(:,:) | |||
integer | :: | nsqa | ||||
integer | :: | ndegen1 | ||||
integer, | allocatable | :: | ispincomb(:) | |||
double precision, | allocatable | :: | nvect(:,:) | |||
double precision, | allocatable | :: | spinval(:,:,:) | |||
double precision, | allocatable | :: | spinval1(:,:,:) | |||
double precision, | allocatable | :: | spinmix(:) | |||
integer | :: | nkpts1 | ||||
integer | :: | nkpts2 | ||||
integer | :: | nkpts_all1 | ||||
integer | :: | nkpts_all2 | ||||
integer, | allocatable | :: | kpt2irr1(:) | |||
integer, | allocatable | :: | irr2kpt1(:) | |||
integer, | allocatable | :: | kpt2irr2(:) | |||
integer, | allocatable | :: | irr2kpt2(:) | |||
integer, | allocatable | :: | vis2int2(:) | |||
double precision, | allocatable | :: | areas1(:) | |||
double precision, | allocatable | :: | weights1(:) | |||
double precision, | allocatable | :: | kpoints1(:,:) | |||
double precision, | allocatable | :: | kpoints2(:,:) | |||
double precision, | allocatable | :: | fermivel1(:,:) | |||
double precision | :: | pi | ||||
double precision | :: | BZVol | ||||
double precision | :: | dos | ||||
double precision | :: | dtmp | ||||
integer | :: | iset_select | ||||
integer | :: | ierr | ||||
integer | :: | isqa | ||||
integer | :: | ikp | ||||
integer | :: | isy | ||||
integer | :: | lb | ||||
integer | :: | ub | ||||
integer | :: | ispin | ||||
integer | :: | nscalar | ||||
integer | :: | nvector | ||||
integer | :: | iscalar | ||||
integer | :: | ivector | ||||
double precision, | allocatable | :: | scalardata(:,:) | |||
double precision, | allocatable | :: | vectordata(:,:,:) | |||
double precision, | allocatable | :: | dtmparr(:) | |||
double precision, | allocatable | :: | dtmparr2(:) | |||
double precision, | allocatable | :: | fvelabs(:) | |||
character(len=256), | allocatable | :: | scalarstring(:) | |||
character(len=256), | allocatable | :: | vectorstring(:) | |||
character(len=256) | :: | dummyline |
Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|
integer, | intent(in) | :: | ndegen | |||
integer, | intent(in) | :: | nkptin | |||
double precision, | intent(out), | allocatable | :: | kpoints(:,:) | ||
double precision, | intent(out), | allocatable | :: | meanfreepath(:,:,:) | ||
double precision, | intent(out), | allocatable | :: | fermivel(:,:) | ||
double precision, | intent(out), | allocatable | :: | tauk(:) | ||
double precision, | intent(out), | allocatable | :: | tauk2(:) | ||
double precision, | intent(out) | :: | tau_avg |
Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|
integer, | intent(in) | :: | nkpts | |||
double precision, | intent(in) | :: | kpoints(3,nkpts) | |||
integer, | intent(out) | :: | ipairs(nkpts) |