Hi<br><br>thank you for the quick answers! I will try to follow your suggestions...<br><br>My version is:<br><br> CP2K| version string:                    CP2K version 2.4 (Development Version)<br> CP2K| source code revision number:                                        12363<br> CP2K| is freely available from                             http://www.cp2k.org/<br> CP2K| Program compiled at                         Fri Sep  7 12:38:53 CEST 2012<br> CP2K| Program compiled on                                              titania1<br> CP2K| Program compiled for                                     Linux-i686-intel<br><br>Best<br>Paolo<br>