Yes, this is probably the problem. EF is "manually" increased to process
in some other programs also states which are above EF (but have a small
occupancy in such broadening methods). This increase is done internally
for Gauss and TETRA (0.5), but for TEMP the printed EF has it variable
I don't think this is really right. With TEMP(S) the Fermi energy (Chemical
Potential) is defined as where the occupation is 0.5, which varies with
temperature provided that the gap is small enough. (Due to how it is
calculated, it is not really accurate for larger gaps.) However, in TETRA
it is
I have been able to locate the source of the error. The weight files
generated by lapw2 are supposed to have the actual value of EF in the
first line. With the TETRA or GAUSS choices, they do. With the TEMP
choice, they are displaced by exactly 30*T. Correspondingly, JOINT uses
a wrong Fermi
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