[Wien] Installation Doubt...
Hi there, Have first FORTRAN 95 compiler and MKL appropriate to your linux OS. Once these are installed, untar the wine2k code to a folder, unzip it and ./expand_lapw followed by ./siteconfig_lapw. Most important to see is your OPTIONS file. Finally run ./userconfig_lapw. After this setmyour w2web interface. All the best R.K.Thapa === Physics depatt. Mizoram University Aizawl Mizoram = On Wed, May 25, 2011 at 4:06 PM, M. Mahendran (Assoc Prof) manickam-mahendran at tce.edu wrote: Respected Sir, I am the new user for WIEN2K program package. We are very interest to work on this program package. In our lab we have a good facility for carry out this work. We have a Linux (Ubntu) operating system and we installed XCrySDen sofrware for crystal visualisation purpose. Please teach me, how to install the WIEN2K program package on Linux OS. Thank you, - This email was sent using TCEMail Service. Thiagarajar College of Engineering Madurai-625 015, India ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110530/eb0de047/attachment.htm
[Wien] Installation Doubt...
Hellow Dr. Mahendran, Have first FORTRAN 95 compiler and MKL appropriate to your linux OS. Once these are installed, untar the wine2k code to a folder, unzip it and ./expand_lapw followed by ./siteconfig_lapw. Most important to see is your OPTIONS file. Finally run ./userconfig_lapw. After this setmyour w2web interface. All the best R.K.Thapa === Physics depatt. Mizoram University Aizawl Mizoram = On Wed, May 25, 2011 at 4:06 PM, M. Mahendran (Assoc Prof) manickam-mahendran at tce.edu wrote: Respected Sir, I am the new user for WIEN2K program package. We are very interest to work on this program package. In our lab we have a good facility for carry out this work. We have a Linux (Ubntu) operating system and we installed XCrySDen sofrware for crystal visualisation purpose. Please teach me, how to install the WIEN2K program package on Linux OS. Thank you, - This email was sent using TCEMail Service. Thiagarajar College of Engineering Madurai-625 015, India ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110530/d3b3e763/attachment.htm
[Wien] argv1: subscript out of range
Dear Shamik, Check your rmt values?? R.K.Thapa India 2011/5/27 shamik chakrabarti shamikphy at gmail.com Dear Wien2k users, We have just installed wien2k in a laptop(COMPAQ) having core2duo processor. Wien2k has been installed properly after compilation of all files. To test it for Fe when we use structural parameters of Fe then after doing x nn it is giving following error : * argv1: subscript out of range* and we are not able to go any further. In this regard any response will be very useful to us. Thanks in advance. with regards, -- Shamik Chakrabarti Research Scholar Dept. of Physics Meteorology Material Processing Solid State Ionics Lab IIT Kharagpur Kharagpur 721302 INDIA ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110530/b3b0ce60/attachment.htm
[Wien] error In source file qmix7.F
Either upgrade to WIEN2k_11or try a different compiler. (I've no experience with PGI-10.) Am 29.05.2011 13:51, schrieb mouhamed mahdi: Dear Laurence Marks You will need to provide much more information: ok: $ uname -a Linux lpat 2.6.31.5-127.fc12.x86_64 #1 SMP Sat Nov 7 21:11:14 EST 2009 x86_64 x86_64 x86_64 GNU/Linux $ g++ --version g++ (GCC) 4.4.2 20091027 (Red Hat 4.4.2-7) $ gcc --version gcc (GCC) 4.4.2 20091027 (Red Hat 4.4.2-7) Im using PGI 10 with wien2k_09 ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- P.Blaha -- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-15671 FAX: +43-1-58801-15698 Email: blaha at theochem.tuwien.ac.atWWW: http://info.tuwien.ac.at/theochem/ --
[Wien] total DOS at the interface
Respected Prof. Blaha can you please tell me how to plot the total DOS at the interface between tow layers for the different atoms thank you so mach Tim. -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110530/32483c42/attachment.htm
