Recherche

; shape=( 3 , 2 ) Lower / upper limits for h,k,l. r tuple The tuple returned by the function. r[0] : int , error code. If non-zero, an error has occurred. r[1] : str , error message. r[2]: dict , the list

dtype= int32 ; shape= 3 Order of the list. Default: [3,2,1], which means vary first l, then k, finally h. hlim ndarray ; dtype= int32 ; shape=( 3 , 2 ) Lower / upper limits for h,k,l. r tuple The tuple returned ... function. r[0] : int , error code. If non-zero, an error has occurred. r[1] : str , error message. r[2]: dict , the list of ...

of harmonic numbers (Q_coeffs) is 12. Key Value Description l_bcs ndarray ; dtype= int32 , shape=( 2 , max_mod ) Code numbers for B_iso amplitudes. l_dcs ndarray ; dtype= int32 , shape=( 6 , max_mod ) ... moment amplitudes. l_occ int Code number for occupancy factor. l_ocs ndarray ; dtype= int32 , shape=( 2 , max_mod ) Code numbers for occupancies ...

Value Description bcs ndarray ; dtype= float32 , shape=( 2 , max_mod ) Bc,Bs. B_iso modulation amplitudes. bcs_std ndarray ; dtype= float32 , shape=( 2 , max_mod ) Standard deviations. dcs ndarray ; dtype= ... nts amplitudes. ocs ndarray ; dtype= float32 , shape=( 2 , max_mod ) Oc,Os. Occupancies amplitudes. ocs_std ndarray ; dtype= float32 , ...

function. r[0] : int , error code. If non-zero, an error has occurred. r[1] : str , error message. r[2]: ndarray , dtype= float32 , shape= 6 , U values . examples

function. r[0] : int , error code. If non-zero, an error has occurred. r[1] : str , error message. r[2]: ndarray , dtype= float32 , shape= 6 , U values . examples

function. r[0] : int , error code. If non-zero, an error has occurred. r[1] : str , error message. r[2]: dict , a dictionary of type twofold_axes_type . examples

function. r[0] : int , error code. If non-zero, an error has occurred. r[1] : str , error message. r[2]: ndarray ; dtype= float32 ; shape=( 3 , 3 ), the transformation matrix. examples

distances in angstroms. Default: 0.2. r tuple The tuple returned by the function. r[0] : int , error code. If non-zero, an error has occurred. r[1] : str , error message. r[2]: dict , the conventional celll

function. r[0] : int , error code. If non-zero, an error has occurred. r[1] : str , error message. r[2]: ndarray , dtype= float32 , shape= 6 , beta values . examples