vasp3.LHFCALC='.TRUE.'
vasp3.HFSCREEN=0.2
vasp3.LSPECTRAL='False'
vasp3.NEDOS=4096
vasp3.NOMEGA=1024
vasp3.NBANDS=nbands
vasp3.LOPTICS='False'
vasp3.LRPA='.FALSE.'
vasp3.LFXC='True'
vasp3.NKREDLFX=3
vasp3.NKREDLFY=3
vasp3.NKREDLFZ=3
vasp3.KPAR=kpar_chi
vasp3.kpts_style='Gamma'
vasp3.kpts=[6,6,6]
vasp3.kpts_shift=[0,0,0]
fw2=VaspFirework(vasp3, name=mname)
fw2.copy_files_from_previous('WAVECAR', 'WAVEDER', mode='copy', ignore_errors=True)
# Make Sequential Workflow
#wf1 = VASPWorkflow(fw1,fw2,fw3, name=material_file_name.split('.')[0])
wf=VaspWorkflow(fw1,fw2,name=material_file_name.split('.')[0])
wf.to_file(material_file_name)
# save specification to yaml file for later inspection
# or manual add to lauchpad with lpad script
#wf.add_wf_to_launchpad()
