On Jul 8, 2011, at 19:40 , Guntram Schmidt wrote: > ecutwfc = 201,
that's a lot: are you really interested in such a high accuracy? > K_POINTS automatic > 1 1 1 0 0 0 for simple scf or optimization calculations, it is convenient to use K_POINTS Gamma > 0:"recvec.f90", line 106: 1525-108 Error encountered while > attempting to allocate a data object. The program will stop. not enough memory P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
