[Q-e-developers] About sudden stops in PWCOND calculations

[Keisuke Masuda]

Dear all,

Recently, I am faced with a problem that my PWCOND calculations often stop suddenly.
An output file of those calculations has the following error messages:
---  E-Ef =    0.0000000  k =   -0.1734694  -0.1734694
---  ie =          1  ik =         67
==============================================
=   BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
=   PID 7820 RUNNING AT r2i6n4.ice.nims.go.jp
=   EXIT CODE: 6
=   CLEANING UP REMAINING PROCESSES
=   YOU CAN IGNORE THE BELOW CLEANUP MESSAGES
==============================================

And the corresponding input file is as follows:
 &inputcond
    outdir='./',
    prefixt='lead_scat',
    bdl=0.5d0
    tran_file='trans_up_4.out',
    ikind=1,
    iofspin = 1,
    energy0=0.0d0,
    denergy=0.01d0,
    ewind=8.d0,
    epsproj=1.d-7
    delgep=1.d-8
 &
  250
 -0.500000000000000      -0.193877551020408                1
 -0.479591836734694      -0.193877551020408                1
 -0.459183673469388      -0.193877551020408                1
 *****************      ******************               *
 *****************      ******************               *

Could anyone tell me the reason of such errors ?

Best regards,

Keisuke Masuda

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Keisuke Masuda
National Institute for Materials Science (NIMS)
Research Center for Magnetic and Spintronic Materials
Magnetic Materials Group
1-2-1 Sengen, Tsukuba, Ibaraki 305-0047, JAPAN
E-mail: MASUDA.Keisuke at nims.go.jp
Tel: +80-29-851-3354 (ext. 6706)
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