Still, my point is clear... h2o_coop.WFSX does not exist! You have either, 1) used the wrong test folder, 2) copied it over such that the name of h2o_coop.WFSX has changed to h2o.WFSX. Either way, the error would show.
Assert that you use the correct file. PS. You even write that you use the h2o.WFSX file, while the mprop command requests the h2o_coop.WFSX file. 2015-05-21 8:51 GMT+02:00 Ankush Bharti <[email protected]>: > sir, > > i used the one provided as an example in the 'test' directory of siesta. > Its for water molecule. > > > ------------------------------ > *From:* Nick Papior Andersen <[email protected]> > *To:* Ankush Bharti <[email protected]> > *Cc:* "[email protected]" <[email protected]> > *Sent:* Wednesday, 20 May 2015 10:13 PM > *Subject:* Re: [SIESTA-L] COOP utility > > "File 'h2o_coop.WFSX' does not exist" > is pretty explanatory. > I would guess you have entered erroneous input in the mpr file. > > 2015-05-20 17:22 GMT+02:00 Ankush Bharti <[email protected]>: > > > i m using siesta-3.2-pl-5. In order to obtain coop curves i made a > directory that consists of the files viz. h2o.WFSX, h2o.HSX and h2o.mpr. > Now when executing mprop utility following error is visible > > Energy units are eV > At line 128 of file mprop.f90 (unit = 72, file = ' %Z� %Z�') > Fortran runtime error: File 'h2o_coop.WFSX' does not exist > > How to use this utility efficiently? what are the probable sources of > mistake? > > > Bharti > hpu shimla > > > > > > -- > Kind regards Nick > > > -- Kind regards Nick
