Dear Dr.Zheng
I was trying to use npdos compare several PROCAR with SOC
The code telling me that
$ ./DOS.sh
Figure Initialization Completed! Time Used: 0.07 [sec]
Traceback (most recent call last):
File "/home/hsu_andy/pyband-master/npdos", line 996, in
main(sys.argv[1:])
File "/home/hsu_andy/pyband-master/npdos", line 986, in main
p = init_procar(p)
File "/home/hsu_andy/pyband-master/npdos", line 858, in init_procar
tmp = procar(inf=inf, lsoc=p.soc[ii])
File "/home/hsu_andy/pyband-master/npdos", line 119, in init
self.readProcar()
File "/home/hsu_andy/pyband-master/npdos", line 158, in readProcar
self._kptv = np.asarray([line.split()[-6:-3] for line in inp if 'weight' in line], dtype=float)
File "/home/hsu_andy/.local/lib/python2.7/site-packages/numpy/core/numeric.py", line 538, in asarray
return array(a, dtype, copy=False, order=order)
ValueError: could not convert string to float: :
Where the DOS.sh is :
#!/bin/bash
python ~/pyband-master/npdos
-i MAG_2.7/LAMBDA_20/DOS/PROCAR
-i MAG_3.0/LAMBDA_20/DOS/PROCAR
-soc 1
Could this be some sort of bug?
Dear Dr.Zheng
I was trying to use npdos compare several PROCAR with SOC
The code telling me that
$ ./DOS.sh
Figure Initialization Completed! Time Used: 0.07 [sec]
Traceback (most recent call last):
File "/home/hsu_andy/pyband-master/npdos", line 996, in
main(sys.argv[1:])
File "/home/hsu_andy/pyband-master/npdos", line 986, in main
p = init_procar(p)
File "/home/hsu_andy/pyband-master/npdos", line 858, in init_procar
tmp = procar(inf=inf, lsoc=p.soc[ii])
File "/home/hsu_andy/pyband-master/npdos", line 119, in init
self.readProcar()
File "/home/hsu_andy/pyband-master/npdos", line 158, in readProcar
self._kptv = np.asarray([line.split()[-6:-3] for line in inp if 'weight' in line], dtype=float)
File "/home/hsu_andy/.local/lib/python2.7/site-packages/numpy/core/numeric.py", line 538, in asarray
return array(a, dtype, copy=False, order=order)
ValueError: could not convert string to float: :
Where the DOS.sh is :
#!/bin/bash
python ~/pyband-master/npdos
-i MAG_2.7/LAMBDA_20/DOS/PROCAR
-i MAG_3.0/LAMBDA_20/DOS/PROCAR
-soc 1
Could this be some sort of bug?