<html><head></head><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, Sans-Serif;font-size:16px"><div id="yui_3_16_0_ym19_1_1464076781529_2870">Hi Nisha, <br></div><div id="yui_3_16_0_ym19_1_1464076781529_2871"><br></div><div id="yui_3_16_0_ym19_1_1464076781529_2872" dir="ltr">I had some trouble getting the library to play nice with VASP in the first instance. When I ran the code with the wannier90 flag turned on it didn't produce the correct wannier90.win file, just wrote the num_wann input (as in your case). The only compiler I could get it to work correctly with was the Intel mpi compilers, with mkl. </div><div id="yui_3_16_0_ym19_1_1464076781529_3114" dir="ltr"><br></div><div id="yui_3_16_0_ym19_1_1464076781529_3115" dir="ltr">If compilation isn't the problem, there is an example for using wannier90 with VASP here:</div><div id="yui_3_16_0_ym19_1_1464076781529_3140" dir="ltr"><a id="yui_3_16_0_ym19_1_1464076781529_3141" href="http://cms.mpi.univie.ac.at/wiki/index.php/Bandstructure_of_Si_in_GW_%28VASP2WANNIER90%29">Bandstructure of Si in GW (VASP2WANNIER90) - Vaspwiki</a><br></div><div style="width:450px; font-family: 'Georgia', 'Times', 'Times New Roman', 'serif';margin-top:5px; margin-bottom: 5px; background-color: #ffffff;" id="enhancrCard_0" class="link-enhancr-attachment link-enhancr-element richcompose-card" contenteditable="false"><table id="yui_3_16_0_ym19_1_1464076781529_3168" class="link-enhancr-element" style="width:450px; height:auto; position: relative; display: block;" border="0" cellpadding="0" cellspacing="0"><tbody id="yui_3_16_0_ym19_1_1464076781529_3167"><tr id="yui_3_16_0_ym19_1_1464076781529_3414" class="link-enhancr-element"><td id="yui_3_16_0_ym19_1_1464076781529_3413" class="link-enhancr-element" colspan="7" style="height: 1px; 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background-color: #ffffff; font-size: 6pt;"> </div></td><td id="yui_3_16_0_ym19_1_1464076781529_3217" rowspan="5" class="link-enhancr-element" style="width: 20px; background-color: #ffffff; font-size: 0pt; border-collapse: collapse;"><div id="yui_3_16_0_ym19_1_1464076781529_3216" class="link-enhancr-element" style="width: 20px; background-color: #ffffff; font-size: 20pt;"> </div></td><td id="yui_3_16_0_ym19_1_1464076781529_3262" class="link-enhancr-element" rowspan="5" style="width: 1px; background-color: #e5e5e5; font-size: 1pt; border-collapse: collapse;" width="1"><div class="link-enhancr-element" style="width: 1px; background-color: #e5e5e5; font-size: 1pt;"> </div></td></tr><tr id="yui_3_16_0_ym19_1_1464076781529_3215"><td id="yui_3_16_0_ym19_1_1464076781529_3214" class="link-enhancr-element" colspan="2" style="width: 100%; vertical-align: middle; font-family: 'Georgia', 'Times', 'Times New Roman', 'serif';"><div id="yui_3_16_0_ym19_1_1464076781529_3213" class="link-enhancr-text-part link-enhancr-element" style="line-height:16.5px; background-color: #ffffff; width: 414px;"><div id="yui_3_16_0_ym19_1_1464076781529_3212" class="link-enhancr-element" style="word-wrap: break-word; word-break: break-all;"><span class="link-enhancr-element icon icon-shrink link-enhancr-toggle"></span><span class="link-enhancr-element icon icon-close link-enhancr-delete"></span><a id="yui_3_16_0_ym19_1_1464076781529_3223" href="http://cms.mpi.univie.ac.at/wiki/index.php/Bandstructure_of_Si_in_GW_%28VASP2WANNIER90%29" class="link-enhancr-card-urlWrapper link-enhancr-element" style="text-decoration: none !important;text-decoration:none; color: #000000 !important; line-height: 100%; font-size: 18px; display: block;"><span id="yui_3_16_0_ym19_1_1464076781529_3222" class="link-enhancr-element link-enhancr-card-title" style="margin: 0; font-weight: normal;margin-bottom: 3px; font-size: 18px; line-height: 21px; max-height: 43px; color: #000000; overflow: hidden !important; display: inline-block;">Bandstructure of Si in GW (VASP2WANNIER90) - Vaspwiki</span></a><div id="yui_3_16_0_ym19_1_1464076781529_3211" style="font-size: 13px; line-height: 20px; color: #999999; max-height: 81px; font-family: 'Georgia', 'Times', 'Times New Roman', 'serif';overflow: hidden;" class="link-enhancr-card-description link-enhancr-element">Description: calculation of the bandstructure of Si in GW using the VASP2WANNIER90 interface. </div></div></div></td></tr><tr id="yui_3_16_0_ym19_1_1464076781529_3226"><td id="yui_3_16_0_ym19_1_1464076781529_3225" colspan="2" class="link-enhancr-element" style="height: 6px; background-color: #ffffff; font-size: 0pt; border-collapse: collapse;"><div id="yui_3_16_0_ym19_1_1464076781529_3224" class="link-enhancr-element" style="height: 6px; background-color: #ffffff; font-size: 6pt;"></div></td></tr><tr id="yui_3_16_0_ym19_1_1464076781529_3210"><td class="link-enhancr-element" style="vertical-align: middle; font-family: 'Arial', 'Helvetica Neue', 'Helvetica', 'sans-serif';"><div class="link-enhancr-element" style="font-size: 0pt;"><a href="http://cms.mpi.univie.ac.at/wiki/index.php/Bandstructure_of_Si_in_GW_%28VASP2WANNIER90%29" class="link-enhancr-card-url link-enhancr-element" style="color: black; 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background-color: #e5e5e5; font-size: 1px; border-collapse: collapse;"><div id="yui_3_16_0_ym19_1_1464076781529_3164" class="link-enhancr-element" style="height: 1px; background-color: #e5e5e5; font-size: 1px; line-height:0px"> </div></td></tr></tbody></table></div><div id="yui_3_16_0_ym19_1_1464076781529_3007"><br></div><div id="yui_3_16_0_ym19_1_1464076781529_3228">which may be useful.</div><div id="yui_3_16_0_ym19_1_1464076781529_3298"><br></div><div id="yui_3_16_0_ym19_1_1464076781529_3332">All the best, <br></div><div id="yui_3_16_0_ym19_1_1464076781529_3333">Conn<br><span></span></div><div id="yui_3_16_0_ym19_1_1464076781529_3176"><span></span></div> <div class="qtdSeparateBR"><br><br></div><div style="display: block;" class="yahoo_quoted"> <div style="font-family: HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, Sans-Serif; font-size: 16px;"> <div style="font-family: HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, Sans-Serif; font-size: 16px;"> <div dir="ltr"><font size="2" face="Arial"> On Tuesday, 24 May 2016, 5:55, Nisha Singh <singhnisha92@gmail.com> wrote:<br></font></div> <br><br> <div class="y_msg_container"><div id="yiv1155300594"><div dir="ltr">Hi all,<div><br></div><div>I am new to wannier90 and recently compiled the code. To produce DFT results i use VASP so i recompiled VASP with wannier by adding -DVASP2WANNIER90 tag in the CPP line and adding the path of the libwannier.a in the LIB line. The copilation was successful but when i run the code to generate wannier.win file i get an error </div><div><br></div><div><div>Error: You must specify num_wann</div><div>Error: examine the output/error file for details</div></div><div><br></div><div>The wannier.win file is generated but has only one line in it </div><div><br></div><div><div> num_wann = 8 ! set to NBANDS by VASP</div></div><div><br></div><div>Till now I could not figure out the mistake any help in this direction would be really helpful.</div></div></div><br>_______________________________________________<br>Wannier mailing list<br><a ymailto="mailto:Wannier@quantum-espresso.org" href="mailto:Wannier@quantum-espresso.org">Wannier@quantum-espresso.org</a><br><a href="http://mailman.qe-forge.org/cgi-bin/mailman/listinfo/wannier" target="_blank">http://mailman.qe-forge.org/cgi-bin/mailman/listinfo/wannier</a><br><br><br></div> </div> </div> </div></div></body></html>