Dear Arles, No, i need to fix one of the cell parameters and two cell angles, allowing the others relax freely
Maxim _______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
Dear Arles, No, i need to fix one of the cell parameters and two cell angles, allowing the others relax freely
Maxim _______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum