[Wien] Help

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Thu Jun 21 22:57:56 CEST 2018


Good day
I hope anyone can help me with the following problems. I am working with gfortran installed on linux mint 18.3, (16 GB RAM, 260 GB disk space, intel i7, 2.7 GHz) wien2k 17.1. 

I just installed wien2k and it seems that the installation went well. So I decided to test the software reproducing the example from the wien2k userguide about TiC. I followed all the steps as indicated, the properties for the DOS, electron charge and X-ray analysis worked well but when I tried the band structured of TiC the plot was not shown properly. According to Dr. Blaha I did not generate the k-mesh or did not executed x lapw1- band (which I did). After generating the file k-band_list I executed the x lapw1 -band. But I hadn't noticed an error that reads:At line 75 of file modules_tmp_.F (unit = 5, file = 'israelperez.in1c')
Fortran runtime error: End of file
0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
error: command   /home/israelperez/Apps/Wien2k/lapw1c lapw1.def   failed
I have no idea what this error is about. I am attaching the corresponding files for reference. The executable lapwc and lapw1.def exist in the Wien2k directory but  israelperez.in1c were created in a different directory (i.e. israelperez, the home directory) what can I do?

Another problem is that I created another user account (where wien2k is isntalled) and run userconfig_lapw1for this account. My question here is: should I run w2web and generate a new port for each new user after executing userconfig_lapw1? This is what I actually did, as of now I am using one port for the admin and another port for thenew user; is this ok or there is a way to use the same port for all users?

I would appreciate any comments you may have. 

Best regards


Israel

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