fw1.add_task(vasp1)
fw1.add_handler('FrozenJobErrorHandler')
fw1_task2=ScriptTask.from_str("pwd; mkdir OrbDir")
fw1_task3=ScriptTask.from_str("mv CHG* CONTCAR DOSCAR EIGENVAL I* K* OSZICAR OUTCAR P* W* X* vasp* OrbDir")
fw1_task4=ScriptTask.from_str("cp OrbDir/WAVECAR . ; cp OrbDir/CONTCAR .")
fw1.add_task(fw1_task2)
fw1.add_task(fw1_task3)
fw1.add_task(fw1_task4)
# create VASP IPA LOPTICS input job yaml file
vasp2=VaspInputInterface('CONTCAR')
vasp2.ISTART=1
vasp2.ALGO='Normal'
vasp2.LHFCALC='.TRUE.'
vasp2.LOPTICS='True'
vasp2.CSHIFT=0.1
vasp2.ISTART=1
vasp2.HFSCREEN=0.2
vasp2.NEDOS=4096
vasp2.KPAR=kpar_dft
vasp2.NBANDS=nbands
vasp2.kpts=[6,6,6]
vasp2.kpts_shift=[0,0,0]
vasp2.kpts_style='Gamma'
vasp2.TIME="0.4"
vasp2.PRECFOCK="Fast"
vasp2.NKRED=3
fw1.add_task(vasp2)
