Search found 2 matches

by iangay
Sun Mar 21, 2010 7:23 pm
Forum: Link to other codes
Topic: MgO & CaO pseudotentials
Replies: 5
Views: 5633

Re: MgO & CaO pseudotentials

4.2 Angstrom (not Bohr) is the conventional (fcc) unit cell dimension for MgO.
2.97A is about right for the primitive (rhombohedral) unit cell.
by iangay
Sat Jan 30, 2010 2:37 am
Forum: Configuring and compiling ABINIT
Topic: Problem with open64
Replies: 3
Views: 12171

Problem with open64

I have compiled abinit 5.8.3 with openf90, for the first time. Something strange happens. Compilation proceeds ok, and all of the tests I have tried (v1, v2 etc) run ok, via make tests_xx in the tests directory. However, when I simply try to run abinis on some other calculation, via abinis <stuff.fi...