bug in ypp -r version 4.0

[javad]

Dear Yambo developpers

I tried the BZ energy RIM analyzer in ypp 4.0

but when I do ypp -r nothing appears,

while in yambo 3.4.1 I get the input as explained in the webpage

http://www.yambo-code.org/input_file/ypp/ypp_rim.php

what can I do to solve this problem?

regards
Javad

[Daniele Varsano]

Dear Javad,
this feature has been substituted with the command:

Code: Select all

ypp -k r

Thanks for noticing, we will update the documentation.

Best,
Daniele

[javad]

Dear Daniele

thank you for the reply, but now I have another problem,
when I generate the input with ypp -k r


bzgrids # [R] BZ Grid
Random_Grid # [R] Random grids
#NoWeights # Do not print points weight
cooOut= "rlu" # Points coordinates (out) cc/rlu/iku/alat
BZ_random_Nk=0 # BZ Random points to be printed

there is not more the variable

BZ_RIM_path= "." # Path to the SAVE folder with the RIM DB1

to read the folder with the new k-points.

regards
Javad

[Davide Sangalli]

Dear Javad,
sorry, we still have to update the documentation.

With the previous version ypp -r was the same input file was used to do two separate things:
1) generate a list of random kpts given in output
2) do the mapping from the grid of kpts you are working with (i.e. a 4x4x4 regular grid in your SAVE) to another grid with different kpts (i.e the random grid)
Some variable were needed for step 1, other for step 2

Now the two thing are done with two different commands
1) ypp -k r create the input file to generate a list of random kpts
2) ypp -m create the input file for the mapping

In particular for the mapping you will find the variable which you can fill with one (or more) paths
One is required.
%DbGd_DB1_paths
"path1"
"path2"
%

Best,
D.

[javad]

Dear Davide

sorry but the -m option is not included in the present version of ypp

Code: Select all

 Tool: ypp 4.0.2 rev.90
 Description: Y(ambo) P(ost) P(rocessor)

 -h		:Short Help
 -H		:Long Help
 -J <opt>	:Job string identifier
 -V <opt>	:Input file verbosity [opt=gen,qp,all]
 -F <opt>	:Input file
 -I <opt>	:Core I/O directory
 -O <opt>	:Additional I/O directory
 -C <opt>	:Communications I/O directory
 -N		:Skip MPI initialization
 -S		:DataBases fragmentation
 -k <opt>	:BZ Grid generator [(k)pt,(q)pt,(s)hifted,(h)igh symmetry]
 -q		:Generate/modify a quasi-particle database
 -w		:Wannier 90 interface
 -b		:Read BXSF output generated by Wannier90
 -e <opt>	:Excitons  [(s)ort,(sp)in,(a)mp,(w)ave]
 -s <opt>	:Electrons [(w)ave,(d)ensity,(m)ag,do(s),(b)ands]
 -f		:Free hole position [excitons plot]
 -r		:BZ energy RIM analyzer
 -n		:Remove symmetries not consistent with an external perturbation

if I run ypp -m the program tells me that this option does not exist

Code: Select all

This is ypp 4.0.2 rev.90
Usage: ypp -h -H -J <opt> -V <opt> -F <opt> -I <opt> -O <opt> -C <opt> -N -S -k <opt> -q -w -b -e <opt> -s <opt> -f -r -n
Try `ypp -H' for more information

Javad

[Davide Sangalli]

Dear javad,
you are right. We did not update the driver/ypp.h file with the last revision.
Please find attached the fixed version of the file. Just put it in the driver folder and recompile ypp.

Otherwise, if you are using the svn version, just run "svn up".

Best,
D