[RMCProfile-users] Configuring BVS in .dat file

Dylan Fast fastd at onid.orst.edu
Wed Aug 19 00:07:10 BST 2015


After further investigation I realized my mistake with the .bvs file. It
turns out that having a tab instead of a space between the element and the
oxidation state for the top lines was causing RMCprofile to not read the
file properly.

Please feel free to disregard the above email requesting help. If you would
like to use this to assist other users that may run into a similar problem
please feel free. Thanks!

Best Regards,

Dylan Fast

On Tue, Aug 18, 2015 at 12:51 PM, Dylan Fast <fastd at onid.orst.edu> wrote:

> Hello,
> I just wanted to check in to see if it is possible to get this answered or
> if there is an example somewhere that I could look to for the new version
> format. Please let me know if there are any questions.
> Thanks!
> Best Regards,
> Dylan Fast
> On Mon, Aug 10, 2015 at 5:17 PM, Dylan Fast <fastd at onid.orst.edu> wrote:
>> Hello,
>> I have been trying to set up a run in RMCprofile utilizing the BVS
>> constraints. I noticed that in the email advertising version 6.5.2 it was
>> stated that these can now be built into the .dat file. However, I see no
>> reference in the manual or anywhere else on how to do this. I tried
>> constructing a .bvs file which I saw mentioned in the old google group page
>> (https://groups.google.com/forum/#!topic/rmcprofile/u4v_F3UVgCQ), but
>> this did not seem to work. (Threw the error "forrtl: severe (64): input
>> conversion error, unit 3, file
>> C:\Users\fastd\Desktop\RMC\DataFolder\IGZO-NewTrials\BVS\Trial-Run\IGZO.bvs").
>> The .dat file and data have been run successfully without the .bvs file
>> included.
>> Is there an example .dat file set up for the new format of using BVS
>> constraints? Does the old method of using a .bvs file still work or was
>> this discontinued in favor of the new method? I have attached my .bvs file
>> if this is the preferred approach in case it is a simple syntax error on my
>> part.
>> Thank you very much for your help. Apologies if I made any foolish
>> mistakes and please let me know if you need any further information.
>> Best Regards,
>> Dylan Fast
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