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by fabanias
Sat Apr 04, 2015 1:26 pm
Forum: Ground state
Topic: error
Replies: 0
Views: 1583

error

Hi every body I am trying to optimize the unit cell of the attached complex but after some steps it stops as result of following problem : ================================================================================ Symmetries : space group P1 (# 1); Bravais aP (primitive triclinic) ============...