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Professor Blaha,</div>
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Thank you for your comments,</div>
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Here I try to be more precise;</div>
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<div style="direction: ltr; font-size: 11pt;">Of course you cannot "visualize" Al.broyd1 ????</div>
<div style="direction: ltr; font-size: 11pt;">*** When one opens XCrySDen in a terminal one touches</div>
<div style="direction: ltr; font-size: 11pt; color: rgb(0, 0, 0);">"File", "Open WIEN2k ...", "Open WIEN2k Struct File"</div>
<div style="direction: ltr; font-size: 11pt; color: rgb(0, 0, 0);">This opens the Al directory, then one points to any "Al.***" and it opens "Al.struct"</div>
<div style="direction: ltr; font-size: 11pt; color: rgb(0, 0, 0);">If I point to "Al.struct" it opens this file and I can see the "Al" structure, but if I point to any other file, it gives me an error, it tries to open
<span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif;">
"Al.xcr"</span></div>
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***</div>
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<br>
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<div style="direction: ltr; font-size: 11pt;">I also do not understand what you mean by "pointing with the mouse to<br>
..." ??<br>
<br>
In any case, you can only view case.struct files (or *xcr files). And<br>
xcrysden needs to "know" that it is a struct file, either on the command<br>
line:<br>
<br>
xcrysden --wien_struct case.struct or<br>
xcrysden<br>
open WIEN2k struct file .....<br>
<br>
(see also xcrysden --help)<br>
<br>
Do you see the "view structure" tab in w2web ???<br>
***No, I cannot see it</div>
<div style="direction: ltr; font-size: 11pt; color: rgb(0, 0, 0);">***Also in</div>
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<b><a href="http://localhost:7890/navig.pl?SID=276917&tasks=0" id="OWAad79fa63-c995-5a5d-c86f-95bdc63fc959" class="x_OWAAutoLink" data-auth="NotApplicable">"Tasks</a></b></div>
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<b> <a href="http://localhost:7890/exec/rho.pl?SID=276917" id="OWA1b6fab52-4efc-7b79-fab7-0d7c74527b7f" class="x_OWAAutoLink" data-auth="NotApplicable">El. Dens.</a> ("Electron density plots")"</b></div>
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I do not see the XCrySDen line</div>
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***In "Bandstructure" "create Al.list_band" there is no XCrySDen</div>
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<div style="direction: ltr; font-size: 11pt; color: rgb(0, 0, 0);">Saludos</div>
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<div style="direction: ltr; font-size: 11pt; color: rgb(0, 0, 0);">Pablo</div>
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