> My scf calculation runs sucessfully hwoever the calculation is > crashing if I perform the nscf calculation.Only changes I have made is > I have taken 15 k points in my nscf calculation.The error message > shows as follows : > > task # 15 > from pzpotrf : error # 30 > problems computing cholesky decomposition > That question is very common in PW_forum. The error maybe relate to a numerical problem, or a problem with mathematical libraries/, or some other weirdness. / Let run with the new version >= 4.0.1.
Linh > Suggestions welcome! > Dimpy > > UCC > Ireland > > ------------------------------------------------------------------------ > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum >
