[Pw_forum] NEB in QE 4.3: NaN values of some of the initially generated images

[Paolo Giannozzi]

On Jan 17, 2012, at 18:51 , Torstein Fjermestad wrote:

>   Does anyone have further suggestions on how to solve this problem?

first of all, please try v.4.3.2; it contains a few fixes for NEB wrt  
v.4.3
=== Doc/release-notes
Fixed in 4.3.2 version
[...]
    * NEB: possible problem in parallel execution (if command-line  
arguments
      are not available to all processors) avoided by broadcasting  
arguments
[...]
Fixed in 4.3.1 version
[...]
    * NEB + nonlocal exchange (DF-vdW) or hybrid functionals wasn't  
working
    * NEB: incorrect parsing of intermediate images fixed
===

P.
---
Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222