Rerunning GW scf (Can vasp reads WFULL00XX.tmp)
Posted: Thu Nov 11, 2021 10:21 am
Dear fellow vasp-users,
I am calculating the optical spectrum of a bulk material following BSE-recipe for VASP.
I am using 4x4x4 k mesh (64 k-points) with all symmetries switched off due to the nature of my system. During the GW run, my calculation was killed due to the time limit. Before the job was canceled, it had already calculated screened kernels (W00XX.tmp and WFULL00XX.tmp) for 62-kpoints. ONLY two are remaining.
Is it possible to make VASP reads already calculated kernels first and calculate only missing ones?
p.s. KPAR or symmetries ON are the options I am already aware of.
Thank you in advance.
I am calculating the optical spectrum of a bulk material following BSE-recipe for VASP.
I am using 4x4x4 k mesh (64 k-points) with all symmetries switched off due to the nature of my system. During the GW run, my calculation was killed due to the time limit. Before the job was canceled, it had already calculated screened kernels (W00XX.tmp and WFULL00XX.tmp) for 62-kpoints. ONLY two are remaining.
Is it possible to make VASP reads already calculated kernels first and calculate only missing ones?
p.s. KPAR or symmetries ON are the options I am already aware of.
Thank you in advance.