标题: 求助,利用QE计算MoSe2投影态密度时,运行出现错误 [打印本页] 作者Author: wang03 时间: 2023-5-4 15:56 标题: 求助,利用QE计算MoSe2投影态密度时,运行出现错误 各位老师好,我利用QE计算MoSe2的投影态密度时,out文件出现了如下错误Program PROJWFC v.6.7MaX starts on 4May2023 at 15:50:38
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
"P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
URL http://www.quantum-espresso.org",
in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote
Parallel version (MPI), running on 64 processors
MPI processes distributed on 1 nodes
R & G space division: proc/nbgrp/npool/nimage = 64
这个是我的输入,
&projwfc
outdir = './tmp33.1'
prefix = '33mose2'
lsym = .true.
filproj = '33mose2pdos'
/