TABLE OF CONTENTS


ABINIT/indefo1 [ Functions ]

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NAME

 indefo1

FUNCTION

 Initialisation phase : defaults values for a first batch of input variables
 (especially dimensions, needed to allocate other parts of dtsets, as well
  as other input variables whose existence is needed for other initialisations to proceed).

COPYRIGHT

 Copyright (C) 2009-2018 ABINIT group (XG,MM,FF)
 This file is distributed under the terms of the
 GNU General Public License, see ~abinit/COPYING
 or http://www.gnu.org/copyleft/gpl.txt .
 For the initials of contributors, see ~abinit/doc/developers/contributors.txt.

INPUTS

OUTPUT

  dtset=<type datafiles_type>contains all input variables for one dataset,
   some of which are given a default value here.

PARENTS

      invars1m

CHILDREN

SOURCE

 31 #if defined HAVE_CONFIG_H
 32 #include "config.h"
 33 #endif
 34 
 35 #include "abi_common.h"
 36 
 37 
 38 subroutine indefo1(dtset)
 39 
 40  use defs_basis
 41  use m_profiling_abi
 42  use m_errors
 43 
 44  use defs_abitypes,  only : dataset_type
 45 
 46 !This section has been created automatically by the script Abilint (TD).
 47 !Do not modify the following lines by hand.
 48 #undef ABI_FUNC
 49 #define ABI_FUNC 'indefo1'
 50 !End of the abilint section
 51 
 52  implicit none
 53 
 54 !Arguments ------------------------------------
 55 !scalars
 56 !arrays
 57  type(dataset_type),intent(inout) :: dtset
 58 
 59 !Local variables -------------------------------
 60 !scalars
 61 
 62 !******************************************************************
 63 !
 64 !Set up default values. All variables to be output in outvars.f
 65 !should have a default, even if a nonsensible one can be
 66 !chosen to garantee print in that routine.
 67 
 68  DBG_ENTER("COLL")
 69 
 70 !Use alphabetic order
 71 
 72 !A
 73  dtset%acell_orig(:,:)=zero
 74  dtset%algalch(:)=1
 75  dtset%amu_orig(:,:)=-one
 76  dtset%autoparal=0
 77 !B
 78  dtset%bandpp=1
 79  dtset%berryopt=0
 80  dtset%berrysav=0
 81  dtset%bfield(:)=zero
 82 !C
 83  dtset%cd_customnimfrqs=0
 84  dtset%chkprim=1
 85 !D
 86  dtset%densty(:,:)=zero
 87  dtset%dfield(:)=zero    !!HONG
 88  dtset%dynimage(:)=1
 89 !E
 90  dtset%efield(:)=zero
 91  dtset%efmas_calc_dirs=0
 92  dtset%efmas_n_dirs=0
 93 !F
 94 !G
 95  dtset%ga_n_rules=1
 96  dtset%gw_customnfreqsp=0
 97  dtset%gw_nqlwl=0
 98  dtset%gwls_n_proj_freq=0
 99 !I
100  dtset%iatfix(:,:)=0
101  dtset%icoulomb=0
102  dtset%imgmov=0
103 !J
104  dtset%jellslab=0
105  dtset%jfielddir(:)=0
106 !K
107  dtset%kptopt=0
108 !L
109  dtset%lexexch(:)=-1
110  dtset%ldaminushalf(:)=0
111  dtset%lpawu(:)=-1
112 !M
113  dtset%maxestep=0.005d0
114  dtset%mixalch_orig(:,:,:)=zero
115  dtset%mkmem=-1
116  dtset%mkqmem=-1
117  dtset%mk1mem=-1
118 !N
119  dtset%natpawu=0
120  dtset%natsph=0
121  dtset%natsph_extra=0
122  dtset%natvshift=0
123  dtset%nconeq=0
124  dtset%ndynimage=1
125  dtset%nkpt=-1
126  dtset%nkptgw=0
127  dtset%nkpthf=0
128  dtset%nnos=0
129  dtset%npband=1
130  dtset%npfft=1
131  dtset%nphf=1
132  dtset%npimage=1
133  dtset%npkpt=1
134  dtset%nppert=1
135  dtset%npspalch=0
136  dtset%npspinor=1
137  dtset%np_slk=1000000
138  dtset%nqptdm=0
139  dtset%nspden=1
140  dtset%nspinor=1
141  dtset%nsppol=1
142  dtset%nsym=0     ! Actually, this default value is not used : it is to be reimposed before each call to ingeo in invars1
143  dtset%ntimimage=1
144  dtset%ntypalch=0
145  dtset%ntyppure=-1
146  dtset%nucdipmom(:,:)=zero
147  dtset%nzchempot=0
148 !O
149  dtset%optdriver=0
150 !P
151  dtset%paral_rf=0
152 !dtset%paral_kgb ! Is even initialized earlier.
153  dtset%pawspnorb=0  ! will be changed to 1 as soon as usepaw==1 and nspinor==2
154  dtset%pimass(:)=-one
155 !Q
156  dtset%qptn=zero
157 !R
158  dtset%red_efield(:)=zero
159  dtset%red_dfield(:)=zero
160  dtset%red_efieldbar(:)=zero
161  dtset%rprim_orig(:,:,:)=zero
162  dtset%rprim_orig(1,1,:)=one
163  dtset%rprim_orig(2,2,:)=one
164  dtset%rprim_orig(3,3,:)=one
165 !S
166  dtset%slabzbeg=zero
167  dtset%slabzend=zero
168  dtset%so_psp(:)=1
169  dtset%spinat(:,:)=zero
170  dtset%symmorphi=1
171 !T
172  dtset%tfkinfunc=0
173  dtset%typat(:)=0
174 !U
175  dtset%usedmatpu=0
176  dtset%usedmft=0
177  dtset%useexexch=0
178  dtset%usepawu=0
179  dtset%usepotzero=0
180  dtset%use_slk=0
181 !V
182  dtset%vel_orig(:,:,:)=zero
183  dtset%vel_cell_orig(:,:,:)=zero
184 !W
185  dtset%wtq=0
186  if (dtset%usepaw==0) dtset%wfoptalg=0
187  if (dtset%usepaw/=0) dtset%wfoptalg=10
188  if (dtset%optdriver==RUNL_GSTATE.and.dtset%paral_kgb>0) dtset%wfoptalg=14
189  dtset%wvl_bigdft_comp=1
190 
191 !X
192  dtset%xred_orig(:,:,:)=zero
193 !Y
194 !Z
195  dtset%zeemanfield(:)=zero
196 
197  DBG_EXIT("COLL")
198 
199 end subroutine indefo1