Search found 3 matches
- Mon Nov 09, 2015 3:46 am
- Forum: Link to other codes
- Topic: Using GPAW setups
- Replies: 4
- Views: 6515
Re: Using GPAW setups
What version of abinit do you use ? Do you use JTH table ? Can you post the configuration of abinit : In you log file from === Build Information === until the end of the HAVE_* echo ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ ++++++++++++++++++++++++++++++++++++++...
- Fri Nov 06, 2015 4:51 am
- Forum: Link to other codes
- Topic: Using GPAW setups
- Replies: 4
- Views: 6515
Re: Using GPAW setups
I have encountered the exact same problem with the GGA atomic data for K and Br.
Is this data set supposed to be carefully tested? Or what did I miss in the PAW calculation? I am following the tutorial and did everything as was told.
Is this data set supposed to be carefully tested? Or what did I miss in the PAW calculation? I am following the tutorial and did everything as was told.
- Sat Jan 03, 2015 8:50 am
- Forum: Response calculations
- Topic: default Fermi level in the el-ph calculation
- Replies: 0
- Views: 2124
default Fermi level in the el-ph calculation
Dear Forum users, I am new to ABINIT and the forum. Recently I have been particularly interested in el-ph interactions. ABINIT shows one example on Al which is a metallic case. Judging from the output and I guess the Fermi level has been set to 0.0 in the calculation. However, the situation with ins...