Input:
https://drive.google.com/file/d/1CTIEuA-E_n1Eri97fHTmNJq60wp2Xjev/view?usp=sharing
INPUTPP
prefix= 'mcresol341scfnband2'
outdir = './outdir'
filplot = 'LUMO_mcresol.dat'
plot_num=7
kband=40
lsign=.true.
kpoint=1kpt
/
The last item is incorrect. The correct syntax is something like
kpoint(1)=1 (an integer). "fileout" in the following namlist is also wrong
&PLOT
nfile=1
filepp(1)= 'LUMO_mcresol.dat'
weight(1)=1
output_format=6
fileout=''LUMO_14mcresol.dat'
iflag=3
Output:
https://drive.google.com/file/d/1vtfY2C2bNy4XPphx4L0nM1JbFP5DzTME/view?usp=drive_link
Script:
https://drive.google.com/file/d/1DTW6HMw5UUWXouTzNnquggMWK4uqBKdn/view?usp=drive_link
Kindly suggest how to troubleshoot this problem.
Thanking you
Suraj
Research student
IIT, India
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The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
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X SCUOLA ENERGIE RINNOVABILI 16-21/9/2024 - PRE-ISCRIZIONE
https://agenda.infn.it/event/39573/
_______________________________________________
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
