a2y processing the *.WFK file error
Posted: Thu Jul 02, 2020 3:49 pm
I used a2y from yambo 4.5.1 to process the wave function file tbase3_xo_WFK from the DFT calculation using the Abinit 8.10.3. There is an error: __ __ ______ ____ _____
/\ \ /\ \\ _ \ /"\_/`\/\ _`\ /\ __`\
\ `\`\\/"/ \ \L\ \/\ \ \ \L\ \ \ \/\ \
`\ `\ /" \ \ __ \ \ \__\ \ \ _ <" \ \ \ \
`\ \ \ \ \ \/\ \ \ \_/\ \ \ \L\ \ \ \_\ \
\ \_\ \ \_\ \_\ \_\\ \_\ \____/\ \_____\
\/_/ \/_/\/_/\/_/ \/_/\/___/ \/_____/
<---> E(TSF) 2 Y(ambo)
<---> Checking input file ...
<---> ETSF file tbase3_xo_WFK
<---> DBs path set to :.
[ERROR] NetCDF: Unknown file format
That shows the a2y could not identify the NetCDF format file. But in D Sangalli et al 2019 J. Phys.: Condens. Matter 31 325902, the authors said " Starting with yambo 4.4, we will release a new version of the a2y interface, which is based on the direct reading of the Abinit wave-function files (WFK files) written in NetCDF format. " I don't know what caused this error.
/\ \ /\ \\ _ \ /"\_/`\/\ _`\ /\ __`\
\ `\`\\/"/ \ \L\ \/\ \ \ \L\ \ \ \/\ \
`\ `\ /" \ \ __ \ \ \__\ \ \ _ <" \ \ \ \
`\ \ \ \ \ \/\ \ \ \_/\ \ \ \L\ \ \ \_\ \
\ \_\ \ \_\ \_\ \_\\ \_\ \____/\ \_____\
\/_/ \/_/\/_/\/_/ \/_/\/___/ \/_____/
<---> E(TSF) 2 Y(ambo)
<---> Checking input file ...
<---> ETSF file tbase3_xo_WFK
<---> DBs path set to :.
[ERROR] NetCDF: Unknown file format
That shows the a2y could not identify the NetCDF format file. But in D Sangalli et al 2019 J. Phys.: Condens. Matter 31 325902, the authors said " Starting with yambo 4.4, we will release a new version of the a2y interface, which is based on the direct reading of the Abinit wave-function files (WFK files) written in NetCDF format. " I don't know what caused this error.