Search found 2 matches
- Thu Apr 28, 2011 10:03 pm
- Forum: Response calculations
- Topic: [SOLVED] band parallelisation in finite electric field?
- Replies: 2
- Views: 3189
- Wed Apr 27, 2011 9:15 pm
- Forum: Response calculations
- Topic: [SOLVED] band parallelisation in finite electric field?
- Replies: 2
- Views: 3189
[SOLVED] band parallelisation in finite electric field?
Hi, all I'm trying to do the finite electric field calculation (berryopt=4) for a supercell (30 atoms). The nkpt=3 and band=72 in this system. So I want to use band parallelisation in my calculation. But after I set up the flags (paral_kgb=1 npband =4 npkpt = 3 npfft =1 bandpp=2) to do the finite fi...