The final coordinates along x and y of that atom are larger or equal to 100, which cause them to be misprinted as ******. It is the first time I see this problem occur, and even when entering the coordinates in bohr units it would take a huge unit cell to obtain this kind of problem with a sensible input.
You did not give us you input, which is bad practice when asking for help, so I can only make reasonable guess; I think one of the following has happened: 1. your unit cell in in fact huge 2. your initials positions are no reasonable 3. your value of celldm(1) is, for some reason, tiny There is a work around to have larger atomic coordinates printed, but this won't solve the real problem with your calculation! HTH On Saturday, April 09, 2016 07:22:39 PM meysam pazoki wrote: > Dear Quantum Espresso Users! > > My relaxation calculation(relax) is finished successfully, > But, I cant read the relaxed coordinates for one the atoms in the scf.out > file. It appears like this in the output file: > Ti ******* ******** 22.345 > CAn you comment on that how can i have the relaxed coordinates for this > atom? > I have a constraint for this atom. > > My Best Regards > /Meysam -- Dr. Lorenzo Paulatto IdR @ IMPMC -- CNRS & Université Paris 6 +33 (0)1 44 275 084 / skype: paulatz http://www.impmc.upmc.fr/~paulatto/ 23-24/4é16 Boîte courrier 115 4 place Jussieu 75252 Paris Cédex 05 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
