Dear pw_user,
I have try to set "press = 100kbar" on bulk MoS2, and it sucess; I can
find the press in xx, yy and zz directions is the same. However, when I add
pressure on 2D MoS2, many errors or strange results happen. For example,
1. Error in routine ggen (41074):
too many g-vectors
2. the press has not been added judging from the outfile, even though it has
fininshed without err.
Who can help me solve it? Or give me some suggestion on adding press on 2D
materials.
Truely
P. L. Gong
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Addr: Institute of Solid State Physics, Chinese Academy of
Sciences, Hefei, Anhui 230031, China
Tel: +86-551-65591591(office), 18756086113(cell phone)
Email: [email protected]
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