Search found 3 matches
- Sat Jan 19, 2013 12:27 am
- Forum: Ground state
- Topic: failure in reading previous WFK
- Replies: 2
- Views: 3062
Re: failure in reading previous WFK
Thank you very much jolafc - and sorry for this stuipd question then - but the only way to know was to read the code!
- Fri Jan 18, 2013 5:30 pm
- Forum: Ground state
- Topic: failure in reading previous WFK
- Replies: 2
- Views: 3062
failure in reading previous WFK
Dear all, I am doing Ecut conference study on 80 atom supercell through 13 dataset. The program runs fine for the first dataset. When it start to read the previous WFK it fails and exit. I have build the code --with-mpi-IO. The following is the end of the log file: -P-0000 hdr_check: WARNING - -P-00...
- Sat Jan 12, 2013 5:33 pm
- Forum: Ground state
- Topic: In2O3 unit cell
- Replies: 1
- Views: 2153
In2O3 unit cell
Dear All, I am new to abinit. I need to declare the full In2O3 unit cell (80 atoms) and prevent abinit to do any symmetry operations. May you please check if there is any mistake in this file regarding the input structure? thanks # Definition of the unit cell acell 19.122515 19.122515 19.122515 angd...