hello,
I'm a new user of VASP and I cannot use my executable file compilated with the option for working at the gamma point only. The result is "RMIX :very serious problem - the old and the new charge density differ".
Can you help me?
thanks a lot
gamma points only
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metsue
gamma points only
Last edited by metsue on Wed Oct 11, 2006 8:37 am, edited 1 time in total.
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admin
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gamma points only
please check if your system really is appropriate to justify a Gamma-point only calculation (as for free atoms, molecules and clusters, extremely large supercells).
Last edited by admin on Thu Oct 19, 2006 10:49 am, edited 1 time in total.