Dear experts, I am trying to calculate the DOS and PDOS of transition metal adsorbed graphene supercell.
DOS has been computed successfully, however I am getting problem with PDOS
(projwfc.x). The error is shown below,
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Calling pprojwave ....
Problem Sizes
natomwfc = 188
nbnd = 120
nkstot = 365
npwx = 774
nkb = 400
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Error in routine davcio (10):
error while reading from file "/home/external/iiitm/santhib/
g_fe_pd_11/./g_fe_pd_11.wfc46"
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Attached are the input script of vc-relax and nscf, and the output error
file.
pdos.out
Description: Binary data
vc_relax.in
Description: Binary data
nscf.in
Description: Binary data
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