Error in running CALYPSO

[Arneet Kaur]

Dear CALYPSO Developers,

I am getting this error while running CALYPSO. CALYPSO stops after given the error:

Traceback (most recent call last):

  File "/usr/lib64/python2.7/threading.py", line 812, in __bootstrap_inner
    self.run()
  File "/usr/lib64/python2.7/threading.py", line 765, in run
    self.__target(*self.__args, **self.__kwargs)
  File "mpi.py", line 97, in execvasp
    writekp(mpidata.kgrid[0], caldir)
  File "/calypso/writekp.py", line 61, in writekp
    kmesh.append(kmf(kgrid, rl[i]))
  File "/calypso/writekp.py", line 22, in kmf
    kd = int(gi/kgrid/2.0/math.pi)
ValueError: cannot convert float NaN to integer

Kindly guide me to resolve it.

Thanks and Regards

Arneet Kaur

[296389682]

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[Arneet Kaur]

The error is encountered when Volume/ Area is not specified in the input file.

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[Pengyue gao]

You can send all the generated files by CALYPSO to cal...@calypso.cn. I will check what happened. 

[296389682]