[Thermo_pw-forum] Thermo_pw-forum Digest, Vol 3, Issue 9

[El-abed Haidar]

Thank you very much for the reply.
 As for your suggestion, I tried ibrav =14 using same celldm(1,2,3,4,5,6) with 4 and 5 equal to zero. But it did not work(“Error in routine thermo_setup (1):internal path not available”).  Could you try to tell me what I did wrong? How do you implement it manually because I tried but not sure if manually has a different meaning. Could you show me how?
Thank you and looking forward to your reply.
EL-abed
El-abed Haidar | Doctor of Philosophy (Science)
 Condensed Matter Theory (CMT) Group| School of Physics
 THE UNIVERSITY OF SYDNEY  | NSW | 2006

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