[Pw_forum] problem with band structure calculation

Sanjeev Kumar Gupta sanjeev0302 at rediffmail.com
Tue Mar 13 20:09:04 CET 2007


Respected sir,After running the band.x, we got this out put band structure calculation. please suggest me.regardsProgram POST-PROC v.3.1.1 starts ...Today is 14Mar2007 at 0:31:40nbndx = 12 nbnd = 12 natomwfc = 10 npwx = 360nelec = 15.00 nkb = 21 ngl = 66%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%from punch_band : error # 29Opening filband file%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%stopping ...

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Sanjeev Kumar Gupta
Junior Research Fellow (2nd Year)
Computational Condensed Matter Physics Lab.(CCMP)
Dept. of Physics, Faculty of Science,
The M.S.University of Baroda, Vadodara - 390 002.
Ph.No: +91-265-279 5339 (O) extn: 30-25 
Mobile:    09374616019
Email: skgupta-phy at msubaroda.ac.in
URL:   skgupta.physics.googlepages.com
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