Does not work

[SUN123RAY]

Hi Thanks for this useful script. I have tried
python pyband.py -k mrgx
but it is showing this error message

Traceback (most recent call last):
File "pyband.py", line 434, in
kpath, bands, efermi, kpt_bounds = get_bandInfo(opts.filename)
File "pyband.py", line 104, in get_bandInfo
Nk_in_seg = int(kp[1].strip())
ValueError: invalid literal for int() with base 10: '90 ! number of k-points = 0 ->automatic generation scheme'

Can you please look on that?

[QijingZheng]

Hi The second line of KPOINTS file should only contain the number of k-points, no other comments are allowed. Just remove the comments and it should be OK. Qijing

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On Sat, Aug 18, 2018 at 12:09 AM, SUN123RAY ***@***.***> wrote: Hi Thanks for this useful script. I have tried python pyband.py -k mrgx but it is showing this error message Traceback (most recent call last): File "pyband.py", line 434, in kpath, bands, efermi, kpt_bounds = get_bandInfo(opts.filename) File "pyband.py", line 104, in get_bandInfo Nk_in_seg = int(kp[1].strip()) ValueError: invalid literal for int() with base 10: '90 ! number of k-points = 0 ->automatic generation scheme' Can you please look on that? — You are receiving this because you are subscribed to this thread. Reply to this email directly, view it on GitHub <#6>, or mute the thread <https://github.com/notifications/unsubscribe-auth/AIINPhuJZOVWLp-pzdtKe7mcDxpetDFFks5uRuqogaJpZM4WB0fY> .

[SUN123RAY]

Thanks for your reply. I have tried again. Traceback (most recent call last): File "pyband.py", line 434, in <module> kpath, bands, efermi, kpt_bounds = get_bandInfo(opts.filename) File "pyband.py", line 113, in get_bandInfo kpt_path = np.linalg.norm(np.dot(vkpt_diff, B), axis=1) TypeError: norm() got an unexpected keyword argument 'axis' On Sat, Aug 18, 2018 at 9:52 AM Qijing Zheng <[email protected]> wrote:

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Hi The second line of KPOINTS file should only contain the number of k-points, no other comments are allowed. Just remove the comments and it should be OK. Qijing On Sat, Aug 18, 2018 at 12:09 AM, SUN123RAY ***@***.***> wrote: > Hi Thanks for this useful script. I have tried > python pyband.py -k mrgx > but it is showing this error message > > Traceback (most recent call last): > File "pyband.py", line 434, in > kpath, bands, efermi, kpt_bounds = get_bandInfo(opts.filename) > File "pyband.py", line 104, in get_bandInfo > Nk_in_seg = int(kp[1].strip()) > ValueError: invalid literal for int() with base 10: '90 ! number of > k-points = 0 ->automatic generation scheme' > > Can you please look on that? > > — > You are receiving this because you are subscribed to this thread. > Reply to this email directly, view it on GitHub > <#6>, or mute the thread > < https://github.com/notifications/unsubscribe-auth/AIINPhuJZOVWLp-pzdtKe7mcDxpetDFFks5uRuqogaJpZM4WB0fY > > . > — You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub <#6 (comment)>, or mute the thread <https://github.com/notifications/unsubscribe-auth/ATOQFEj6S_KSyNL7PBKHfs4vhIDaADzzks5uR8e6gaJpZM4WB0fY> .

[QijingZheng]

You numpy is too old, please upgrade to the newest version.

[SUN123RAY]

hi I have bumpy 1.11.1 and got this now File "pyband.py", line 452, in <module> call(['feh', '-xdF', opts.bandimage]) File "/software/apps/python/3.6.1/anaconda-4.4.0/lib/python3.6/subprocess.py", line 267, in call with Popen(*popenargs, **kwargs) as p: File "/software/apps/python/3.6.1/anaconda-4.4.0/lib/python3.6/subprocess.py", line 707, in __init__ restore_signals, start_new_session) File "/software/apps/python/3.6.1/anaconda-4.4.0/lib/python3.6/subprocess.py", line 1326, in _execute_child raise child_exception_type(errno_num, err_msg) FileNotFoundError: [Errno 2] No such file or directory: 'feh'

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On Sat, Aug 18, 2018 at 3:52 PM Qijing Zheng ***@***.***> wrote: You numpy is too old, please upgrade to the newest version. — You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub <#6 (comment)>, or mute the thread <https://github.com/notifications/unsubscribe-auth/ATOQFBq53VeGAPEo0kCL8RdIETwy5vuDks5uSBwYgaJpZM4WB0fY> .

[SUN123RAY]

I have upgraded bumpy to latest version and tried again. It shows again error Traceback (most recent call last): File "pyband.py", line 452, in <module> call(['feh', '-xdF', opts.bandimage]) File "/Users/amiba787/anaconda/lib/python2.7/subprocess.py", line 168, in call return Popen(*popenargs, **kwargs).wait() File "/Users/amiba787/anaconda/lib/python2.7/subprocess.py", line 390, in __init__ errread, errwrite) File "/Users/amiba787/anaconda/lib/python2.7/subprocess.py", line 1024, in _execute_child raise child_exception OSError: [Errno 2] No such file or directory On Sat, Aug 18, 2018 at 9:11 PM Amitava Banerjee <[email protected]> wrote:

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hi I have bumpy 1.11.1 and got this now File "pyband.py", line 452, in <module> call(['feh', '-xdF', opts.bandimage]) File "/software/apps/python/3.6.1/anaconda-4.4.0/lib/python3.6/subprocess.py", line 267, in call with Popen(*popenargs, **kwargs) as p: File "/software/apps/python/3.6.1/anaconda-4.4.0/lib/python3.6/subprocess.py", line 707, in __init__ restore_signals, start_new_session) File "/software/apps/python/3.6.1/anaconda-4.4.0/lib/python3.6/subprocess.py", line 1326, in _execute_child raise child_exception_type(errno_num, err_msg) FileNotFoundError: [Errno 2] No such file or directory: 'feh' On Sat, Aug 18, 2018 at 3:52 PM Qijing Zheng ***@***.***> wrote: > You numpy is too old, please upgrade to the newest version. > > — > You are receiving this because you authored the thread. > Reply to this email directly, view it on GitHub > <#6 (comment)>, > or mute the thread > <https://github.com/notifications/unsubscribe-auth/ATOQFBq53VeGAPEo0kCL8RdIETwy5vuDks5uSBwYgaJpZM4WB0fY> > . >

[QijingZheng]

The error just complains that the desired image viewer can not be found. The output image (named "band.png") has already been generated.

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On Sun, Aug 19, 2018 at 4:55 AM, SUN123RAY ***@***.***> wrote: I have upgraded bumpy to latest version and tried again. It shows again error Traceback (most recent call last): File "pyband.py", line 452, in <module> call(['feh', '-xdF', opts.bandimage]) File "/Users/amiba787/anaconda/lib/python2.7/subprocess.py", line 168, in call return Popen(*popenargs, **kwargs).wait() File "/Users/amiba787/anaconda/lib/python2.7/subprocess.py", line 390, in __init__ errread, errwrite) File "/Users/amiba787/anaconda/lib/python2.7/subprocess.py", line 1024, in _execute_child raise child_exception OSError: [Errno 2] No such file or directory On Sat, Aug 18, 2018 at 9:11 PM Amitava Banerjee ***@***.***> wrote: > hi I have bumpy 1.11.1 and got this now > File "pyband.py", line 452, in <module> > call(['feh', '-xdF', opts.bandimage]) > File > "/software/apps/python/3.6.1/anaconda-4.4.0/lib/python3.6/ subprocess.py", > line 267, in call > with Popen(*popenargs, **kwargs) as p: > File > "/software/apps/python/3.6.1/anaconda-4.4.0/lib/python3.6/ subprocess.py", > line 707, in __init__ > restore_signals, start_new_session) > File > "/software/apps/python/3.6.1/anaconda-4.4.0/lib/python3.6/ subprocess.py", > line 1326, in _execute_child > raise child_exception_type(errno_num, err_msg) > FileNotFoundError: [Errno 2] No such file or directory: 'feh' > > On Sat, Aug 18, 2018 at 3:52 PM Qijing Zheng ***@***.***> > wrote: > >> You numpy is too old, please upgrade to the newest version. >> >> — >> You are receiving this because you authored the thread. >> Reply to this email directly, view it on GitHub >> <#6 (comment) >, >> or mute the thread >> <https://github.com/notifications/unsubscribe-auth/ ATOQFBq53VeGAPEo0kCL8RdIETwy5vuDks5uSBwYgaJpZM4WB0fY> >> . >> > — You are receiving this because you commented. Reply to this email directly, view it on GitHub <#6 (comment)>, or mute the thread <https://github.com/notifications/unsubscribe-auth/AIINPkQo_Z7_UMEcIDCEvSt9lfY2NZ8Lks5uSH9PgaJpZM4WB0fY> .