mirror of
https://github.com/triqs/dft_tools
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93 lines
3.3 KiB
FortranFixed
93 lines
3.3 KiB
FortranFixed
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c ******************************************************************************
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c
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c TRIQS: a Toolbox for Research in Interacting Quantum Systems
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c
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c Copyright (C) 2011 by L. Pourovskii, V. Vildosola, C. Martins, M. Aichhorn
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c
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c TRIQS is free software: you can redistribute it and/or modify it under the
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c terms of the GNU General Public License as published by the Free Software
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c Foundation, either version 3 of the License, or (at your option) any later
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c version.
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c
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c TRIQS is distributed in the hope that it will be useful, but WITHOUT ANY
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c WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
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c FOR A PARTICULAR PURPOSE. See the GNU General Public License for more
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c details.
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c
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c You should have received a copy of the GNU General Public License along with
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c TRIQS. If not, see <http://www.gnu.org/licenses/>.
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c
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c *****************************************************************************/
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SUBROUTINE outbwin
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C %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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C %% %%
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C %% This subroutine creates the output file case.oubwin %%
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C %% which contains all the informations for the charge density %%
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C %% self-consistency. %%
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C %% %%
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C %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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C Definition of the variables :
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C ----------------------------
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USE almblm_data
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USE common_data
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USE file_names
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USE prnt
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IMPLICIT NONE
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INTEGER :: is, ik, ou
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C
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WRITE(buf,'(a)')'Writing the file case.outbwin...'
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CALL printout(0)
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C
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DO is=1,ns
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C ====================================
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C Definition of the file case.oubwin :
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C ====================================
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C If the computations is spin-polarized, the output file is divided
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C in two files : case.oubwinup and case.oubwindn
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IF(ifSP.AND.is==1) THEN
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ou=oubwinup
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ELSEIF(ifSP.AND.is==2) THEN
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ou=oubwindn
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ELSE
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ou=oubwin
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ENDIF
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C =======================================
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C General informations about the system :
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C =======================================
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C
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C Number of k-points in the I-BZ
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WRITE(ou,'(i6)') nk
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C Definition of the Spin-orbit flag ifSO
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IF(ifSO) THEN
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WRITE(ou,'(i6)') 1
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ELSE
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WRITE(ou,'(i6)') 0
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ENDIF
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C ====================================================
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C Description of the main properties of each k-point :
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C ====================================================
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DO ik=1,nk
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C Description of the if-included flag
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IF(kp(ik,is)%included) THEN
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WRITE(ou,'(i6)') 1
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ELSE
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WRITE(ou,'(i6)') 0
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ENDIF
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IF(kp(ik,is)%included) THEN
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C Range of bands included at each k-point
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WRITE(ou,'(2(i6))') kp(ik,is)%nb_bot,kp(ik,is)%nb_top
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C Weight associated to each k-point (for the simple point integration)
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WRITE(ou,*) kp(ik,is)%weight
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ENDIF
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ENDDO ! End of the ik loop
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ENDDO ! End of the is loop
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C
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RETURN
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END
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