Search found 1 match
- Fri May 12, 2017 6:14 am
- Forum: Ground state
- Topic: Abinit + openmpi problem
- Replies: 0
- Views: 1491
Abinit + openmpi problem
Hi, all I'm having a problem with abinit + openmpi. Content of input file: #Definition of occupation numbers occopt 3 tsmear 0.01 #Optimization of the lattice parameters ixc 11 optcell 2 ionmov 3 ntime 100 dilatmx 1.1 ecutsm 0.5 #Definition of the k-point grids kptopt 1 # Option for the automatic ge...