Hello:
I have calculated the force constants using the tags: ibrion=8 and nsw=1, during the process of the vasp running, some error profiles were given like this:
HAMIL_LR internal error: the vector H(1)-e(1) S(1) |phi(0)> is not orthogonal t
o |phi(0)> 52 1 -1.417823075417837E-004
It's the first time for me to carry out such a calculation, i don't know what's wrong on this vasp task. What can i do to correct it?
Many thanks for any tips!
The errors when the force constants were calculated.
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xinhuanwen
The errors when the force constants were calculated.
Last edited by xinhuanwen on Sat Apr 26, 2014 10:19 am, edited 1 time in total.
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support_vasp
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Re: The errors when the force constants were calculated.
Hi,
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