Try eventually that:
-save the calculation (save_lapw some_name) and rename 
GaPwurtHSE-DielSO-1.vectorhf_old as some_name.vectorhf
-create a new fresh directory where you copy the files some_name.*
-restore the calculation (restore -f some_name)
-restart the calculation

But I'm afraid that it won't work if case.energyhf is not complete.


On Thursday 2017-05-18 13:29, Luis Ogando wrote:

Date: Thu, 18 May 2017 13:29:42
From: Luis Ogando <lcoda...@gmail.com>
Reply-To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at>
To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at>
Subject: [Wien] Restarting HF with SO

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,

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