I am quite confused why I cannot put in pxx pyy pzz etc. as the keywords to obtain the internal stress state of the periodic cell? I tried other keywords and finally find the the pxx pyy pzz are not included in the source code (am I right?). I am wondering why it is not included in the source code as it is basic and important key values.
lumblab227 | Thu, 05/11/2017 - 04:02
Is there anyone could give me
Is there anyone could give me suggestions to obtain these values?