Commit cf45c239 authored by Gregor Michalicek's avatar Gregor Michalicek

Write out banddos.hdf only if dos=T

parent 2dd02f82
...@@ -107,12 +107,12 @@ SUBROUTINE cdngen(eig_id,mpi,input,banddos,sliceplot,vacuum,& ...@@ -107,12 +107,12 @@ SUBROUTINE cdngen(eig_id,mpi,input,banddos,sliceplot,vacuum,&
END DO END DO
IF (mpi%irank.EQ.0) THEN IF (mpi%irank.EQ.0) THEN
IF (banddos%dos.or.banddos%vacdos.or.input%cdinf) THEN
#ifdef CPP_HDF #ifdef CPP_HDF
CALL openBandDOSFile(banddosFile_id,input,atoms,cell,kpts) CALL openBandDOSFile(banddosFile_id,input,atoms,cell,kpts)
CALL writeBandDOSData(banddosFile_id,input,atoms,cell,kpts,results,banddos,dos,vacuum) CALL writeBandDOSData(banddosFile_id,input,atoms,cell,kpts,results,banddos,dos,vacuum)
CALL closeBandDOSFile(banddosFile_id) CALL closeBandDOSFile(banddosFile_id)
#endif #endif
IF (banddos%dos.or.banddos%vacdos.or.input%cdinf) THEN
CALL timestart("cdngen: dos") CALL timestart("cdngen: dos")
CALL doswrite(eig_id,dimension,kpts,atoms,vacuum,input,banddos,sliceplot,noco,sym,cell,dos,mcd,results,slab,orbcomp,oneD) CALL doswrite(eig_id,dimension,kpts,atoms,vacuum,input,banddos,sliceplot,noco,sym,cell,dos,mcd,results,slab,orbcomp,oneD)
IF (banddos%dos.AND.(banddos%ndir.EQ.-3)) THEN IF (banddos%dos.AND.(banddos%ndir.EQ.-3)) THEN
......
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