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gamma points only

Posted: Wed Oct 11, 2006 8:37 am
by metsue
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

Posted: Thu Oct 19, 2006 10:49 am
by admin
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).