Hellow,
The Fermi energy can get from the output file, but i want to know how do you gt the Fermi surface?
Search found 3 matches
- Wed Sep 14, 2011 3:34 am
- Forum: Ground state
- Topic: Fermi level
- Replies: 2
- Views: 3502
- Tue Sep 13, 2011 10:45 am
- Forum: Ground state
- Topic: about the tsmear
- Replies: 0
- Views: 2071
about the tsmear
Hellow, When i do the calculations about the structural optimized or single point energy calculation, I use the tsmear = 0.01 and occopt = 7 which is recommended for d-band metals. And the -kT*entropy = -2.70988931698273E-03 Hartree(73.74 meV). Is it reasonable to reduce the tsmear to get the -kT*en...
- Thu Sep 08, 2011 3:07 pm
- Forum: Response calculations
- Topic: about the ionmov = 30
- Replies: 2
- Views: 3689
about the ionmov = 30
Hi,
I have read the reference(PRL 100 095901 (2008)) about the self consistent phonon structure, but I cannot find the use of the valuable ionmov = 30 in the tutorial. Is anyone who can give me some suggestions about the use of the ionmov = 30?
I have read the reference(PRL 100 095901 (2008)) about the self consistent phonon structure, but I cannot find the use of the valuable ionmov = 30 in the tutorial. Is anyone who can give me some suggestions about the use of the ionmov = 30?