Ticket #50616: patch-src-parameters.F90.diff
File patch-src-parameters.F90.diff, 2.4 KB (added by cram5431@…, 9 years ago) |
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src/parameters.F90
old new 1387 1387 dis_spheres_first_wann = 1 1388 1388 call param_get_keyword('dis_spheres_first_wann',found,i_value=dis_spheres_first_wann) 1389 1389 if ( dis_spheres_first_wann < 1 ) call io_error('Error: dis_spheres_first_wann must be greater than 0') 1390 if ( dis_spheres_first_wann > num_bands-num_wann+1 ) &1390 if ( dis_spheres_first_wann > num_bands-num_wann+1 .and. num_bands > 0 ) & 1391 1391 call io_error('Error: dis_spheres_first_wann is larger than num_bands-num_wann+1') 1392 1392 dis_spheres_num = 0 1393 1393 call param_get_keyword('dis_spheres_num',found,i_value=dis_spheres_num) … … 2744 2744 write(stdout,'(1x,a46,10x,f8.3,13x,a1)') '| Minimum energy range for DOS plot :',boltz_dos_energy_min,'|' 2745 2745 write(stdout,'(1x,a46,10x,f8.3,13x,a1)') '| Maximum energy range for DOS plot :',boltz_dos_energy_max,'|' 2746 2746 write(stdout,'(1x,a46,10x,f8.3,13x,a1)') '| Energy step for DOS plot :',boltz_dos_energy_step,'|' 2747 if(boltz_dos_adpt_smr.eqv.adpt_smr .and. boltz_dos_adpt_smr_fac==adpt_smr_fac .and. boltz_dos_adpt_smr_max==adpt_smr_max & 2747 if(boltz_dos_adpt_smr.eqv.adpt_smr .and. boltz_dos_adpt_smr_fac==adpt_smr_fac & 2748 .and. boltz_dos_adpt_smr_max==adpt_smr_max & 2748 2749 .and. boltz_dos_smr_fixed_en_width==smr_fixed_en_width .and. smr_index==boltz_dos_smr_index) then 2749 2750 write(stdout,'(1x,a78)') '| Using global smearing parameters |' 2750 2751 else … … 3004 3005 deallocate( dos_project, stat=ierr ) 3005 3006 if (ierr/=0) call io_error('Error in deallocating dos_project in param_dealloc') 3006 3007 endif 3007 3008 if( allocated( fermi_energy_list ) ) then 3009 deallocate( fermi_energy_list, stat=ierr ) 3010 if (ierr/=0) call io_error('Error in deallocating fermi_energy_list in param_dealloc') 3011 endif 3012 if( allocated( kubo_freq_list ) ) then 3013 deallocate( kubo_freq_list, stat=ierr ) 3014 if (ierr/=0) call io_error('Error in deallocating kubo_freq_list in param_dealloc') 3015 endif 3016 if( allocated( dis_spheres ) ) then 3017 deallocate( dis_spheres, stat=ierr ) 3018 if (ierr/=0) call io_error('Error in deallocating dis_spheres in param_dealloc') 3019 endif 3008 3020 3009 3021 return 3010 3022