Commit fceb6dfe authored by Gregor Michalicek's avatar Gregor Michalicek

Introduce reduced output mode

parent 00f6cdde
......@@ -122,17 +122,19 @@ CONTAINS
DO jsp = 1,nspins
DO k = 1,kpts%nkpt
CALL read_eig(eig_id,k,jsp,neig=ne(k,jsp),eig=eig(:,k,jsp))
IF ( mpi%irank == 0 ) THEN
IF (mpi%irank == 0) THEN
WRITE (6,'(a2,3f10.5,f12.6)') 'at',kpts%bk(:,k),kpts%wtkpt(k)
WRITE (6,'(i5,a14)') ne(k,jsp),' eigenvalues :'
WRITE (6,'(8f12.6)') (eig(i,k,jsp),i=1,ne(k,jsp))
attributes = ''
WRITE(attributes(1),'(i0)') jsp
WRITE(attributes(2),'(i0)') k
WRITE(attributes(3),'(f15.8)') kpts%bk(1,k)
WRITE(attributes(4),'(f15.8)') kpts%bk(2,k)
WRITE(attributes(5),'(f15.8)') kpts%bk(3,k)
CALL writeXMLElementPoly('eigenvaluesAt',(/'spin','ikpt','k_x ','k_y ','k_z '/),attributes,eig(1:ne(k,jsp),k,jsp))
IF(.NOT.judft_was_argument("-minimalOutput")) THEN
attributes = ''
WRITE(attributes(1),'(i0)') jsp
WRITE(attributes(2),'(i0)') k
WRITE(attributes(3),'(f15.8)') kpts%bk(1,k)
WRITE(attributes(4),'(f15.8)') kpts%bk(2,k)
WRITE(attributes(5),'(f15.8)') kpts%bk(3,k)
CALL writeXMLElementPoly('eigenvaluesAt',(/'spin','ikpt','k_x ','k_y ','k_z '/),attributes,eig(1:ne(k,jsp),k,jsp))
END IF
END IF
END DO
ENDDO
......
......@@ -125,7 +125,8 @@ CONTAINS
CALL new_argument(0,"-all_times","Write json files of timing for all PE, not only for PE=0","")
!Output
CALL new_argument(0,"-mix_io","Do not store mixing history in memory but do IO in each iteration","")
CALL new_argument(0,"-no_out","Do not open the 'out' file but write to stdout","")
CALL new_argument(0,"-no_out","Do not open the 'out' file but write to stdout","")
CALL new_argument(0,"-minimalOutput","Reduce the amount of output in the out.xml file","")
CALL new_argument(0,"-genEnpara","Generate an 'enpara' file for the energy parameters","")
CALL new_argument(0,"-gw","Add alternative k point set for GW in all outputs for the XML input file","")
CALL new_argument(0,"-noco","write out noco parameters in all outputs for inp.xml","")
......
Markdown is supported
0% or
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment