Dear Matt, I would like to repeat the calculation for liquid water (with 32 molecules) with all-electron GAPW method, presented in PCCP 2(2000)2105. Could you please send me an input file for that? Some of my experiences show that cp2k works fine for water system: the VDOS is fine as far as LDA (Pade) XC functional is used. However, when I use BLYP XC functional, the first peak is with much higher intensity(which is probably not true). I know the GTH PP may be the cause. However, GAPW with GTH plus BLYP doesn't reduce the intensity. In the meanwhile, GAPW with full electron does reduce the intensity as you have shown in your paper. So I'm very interested in repeating your calculation, your help will certainly reduce my meaningless testing... Thanks Sincerely, Yunfeng