E-RIM approach does not work

[yunhailiseu]

Dear Yambo Team,

It seems that the E-RIM approach mentioned here http://www.yambo-code.org/input_file/ypp/ypp_rim.php does not work for yambo-4.0.2.r96. The ypp program does not accept the '-r' flag. Copying the input file generated by 3.4.2 does not work either.

Is this feature deprecated? If so, are there any other approaches that can boost the convergence of dielectric function on k-grid?

Best,
Yunhai Li

[Daniele Varsano]

Dera Yunhai Li,
thanks for reporting, we will investigate what is missing.

Best,
Daniele

[yunhailiseu]

Dera Yunhai Li,
thanks for reporting, we will investigate what is missing.

Best,
Daniele

Dear Daniele,

By chance I find that for yambo-4.0.2 the -r option was changed to -k r. The random k-points can be successfully generated in this way. However, ypp cannot perform bzrim calculation to produce ndb.E_RIM file.

I checked the source files under ypp using the command grep bzrim *.F and found that there were not any files containing this string, while for yambo-3.4.2 the string bzrim was found in ypp_init.F. It seems that this feature has been removed from the source code.

Hope these information may be useful.

Best,
Yunhai Li

[Davide Sangalli]

Dera Yunhai Li,
in yambo-4.0 the double grid technique can be used both with random and regular grids.

Thus the approach has been renames from "E-RIM" to "Double Grid"
The following post may help:
viewtopic.php?f=9&t=1149&p=5345&hilit=rim#p5346

Best,
D.