Advanced usage

The p2y code accepts various options:

$ p2y -H

Tool: p2y 4.1.2 rev.14024
Description: P(Wscf) 2 Y(ambo) interface 

-h		:Short Help
-H		:Long Help
-N		:Skip MPI initialization
-F <opt>	:XML index file name
-O <opt>	:Output directory
-U		:Do not fragment the DataBases (only for serial runs)
-b <int>	:Number of bands for each fragment
-a <real>	:Lattice constants rescaling factor
-t		:Force use of spatial Inv. instead of Time Rev.
-n		:Force no symmetries
-w		:Force no wavefunctions
-v		:Verbose wfc I/O reporting

Create the SAVE folder elsewhere:

$ cd hBN.save
$ p2y -O ../../YAMBO/

Change the number of bands included in each WF fragment (default is 100):

$ p2y -b 400

Force verbose output (useful for very slow I/O with large WF files):

$ p2y -v
...
<---> == DB2 (wavefunctions)  ...
<--->  :: K-point:    1/   14 Spinors 1
<--->   Filling block  1 bands: [   1: 100]
<--->  :: K-point:    2/   14 Spinors 1
<--->   Filling block  1 bands: [   1: 100]

The other flags may be useful in particular situations, for debugging, or for post-processing - for instance,

$p2y -w

will skip the creation of the (large) ns.wf files.

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