If you compile with intel this might well be the problem. I will see how one of our PhDs students found a way round tomorrow (Monday)
Steve Bailey from iPad On 16 Mar 2014, at 05:30, "Dr. Pablo A. Denis" <[email protected]<mailto:[email protected]>> wrote: Dear all, we have compiled the trunk version 458 employing mpiifort 4.1.0.024 and MKL 10.3 update 6. When VDW-DF calculations are performed for hydrogen containing systems, we always got the error message: GHOST: WARNING: Ghost state for L = 1 KBgen: WARNING: Some parameter should be changed in the KBgen: WARNING: pseudopotential generation procedure. Stopping Program from Node: 0 Many pseudos for hydrogen were tested and we always receive the same error message. The thing which puzzles us more is that the pseudos that we have work well with previous versions of siesta (like trunk 320 and trunk339). Notes: a) The problem only occurs when the VDW-DF functional is called, for PBE everything goes well. b) For C,N,O,F,S,Si the VDW-DF pseudos work well any clue? Many thanks Best regards, pablo
