I have enough memory on the disk... and used same pool of processors as used for pw.x. Yet, I am not getting why the error is appearing ??
On Tue, Jan 9, 2018 at 4:01 PM, B S Bhushan <ecebhus...@gmail.com> wrote: > Dear experts, > > I am trying to calculate the DOS and PDOS of transition metal adsorbed > graphene supercell. > > DOS has been computed successfully, however I am getting problem with PDOS > (projwfc.x). The error is shown below, > > ------------------------------------------------------------ > --------------------------------------------------- > Calling pprojwave .... > > Problem Sizes > natomwfc = 188 > nbnd = 120 > nkstot = 365 > npwx = 774 > nkb = 400 > > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > %%%%%%%%%%%%%%%%%%% > Error in routine davcio (10): > error while reading from file "/home/external/iiitm/santhib/ > g_fe_pd_11/./g_fe_pd_11.wfc46" > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > %%%%%%%%%%%%%%%%%%% > ------------------------------------------------------------ > ---------------------------------------------------- > > Attached are the input script of vc-relax and nscf, and the output error > file. > > >
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