[Wien] Restarting HF with SO

[Luis Ogando]

Dear Wien2k community,

   I am trying to calculate the dielectric function for wurtzite GaP using
-hf and -so as previously discussed (
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg14603.html
).
   There was a shut down of the machine during the  hf  execution in the
first step of the calculation  (  run_lapw -hf ...  ). When the machine
came back, I removed the case.vectorhf (case.vectorhf_old is still there)
and case.energyhf.  Then, I executed

run_lapw -hf -NI -s hf -ec 0.0001 -cc 0.0001 -i 200

trying to restart the calculation (non-parallel execution due to the HF x
SO issue discussed in the previous messages above).
   The calculation restarted without a problem, but when the the
case.vectorhf reached 187MB (less than a half of the expected size, see
below) I got an error.

-rw-r--r-- 1 luisoda luisoda 187M Mai 18 03:51 GaPwurtHSE-DielSO-1.vector
-rw-r--r-- 1 luisoda luisoda 187M Mai 18 00:14 GaPwurtHSE-DielSO-1.vectorhf
-rw-r--r-- 1 luisoda luisoda 565M Abr 23 21:33
GaPwurtHSE-DielSO-1.vectorhf_old

   The only related error message I found it was:

error in calc_h: info not equal to 0

   I am probably making a mistake when restarting the calculation and I
would really appreciate any help with this issue.
   Many thanks in advance.
   All the best,
             Luis
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